diff --git a/basis_set_exchange/curate/add_basis.py b/basis_set_exchange/curate/add_basis.py index a7262c23..d983a7f0 100644 --- a/basis_set_exchange/curate/add_basis.py +++ b/basis_set_exchange/curate/add_basis.py @@ -260,7 +260,7 @@ def add_basis_from_dict(bs_data, # and that there are no duplicates for el in elements: if el not in orig_elements: - raise RuntimeError("Element {} not found in file {}".format(el, bs_file)) + raise RuntimeError("Element {} not found in given dictionary".format(el)) if el in done_elements: raise RuntimeError("Duplicate element {} in reference string {}".format(el, k)) diff --git a/basis_set_exchange/data/METADATA.json b/basis_set_exchange/data/METADATA.json index a497d3e7..641cffd5 100644 --- a/basis_set_exchange/data/METADATA.json +++ b/basis_set_exchange/data/METADATA.json @@ -28087,6 +28087,2310 @@ } } }, + "dyall-aae2z": { + "display_name": "dyall-aae2z", + "other_names": [], + "description": "Dyall's augmented all-electron 2-zeta primitive basis set", + "latest_version": "1", + "tags": [], + "basename": "dyall-aae2z", + "relpath": "", + "family": "dyall", + "role": "orbital", + "function_types": [ + "gto", + "gto_spherical" + ], + "auxiliaries": {}, + "versions": { + "1": { + "file_relpath": "dyall-aae2z.1.table.json", + "revdesc": "Data from https://zenodo.org/records/7574629", + "revdate": "2024-11-17", + "elements": [ + "1", + "2", + "3", + "4", + "5", + "6", + "7", + "8", + "9", + "10", + "11", + "12", + "13", + "14", + "15", + "16", + "17", + "18", + "19", + "20", + "21", + "22", + "23", + "24", + "25", + "26", + "27", + "28", + "29", + "30", + "31", + "32", + "33", + "34", + "35", + "36", + "37", + "38", + "39", + "40", + "41", + "42", + "43", + "44", + "45", + "46", + "47", + "48", + "49", + "50", + "51", + "52", + "53", + "54", + "55", + "56", + "72", + "73", + "74", + "75", + "76", + "77", + "78", + "79", + "80", + "81", + "82", + "83", + "84", + "85", + "86", + "87", + "88", + "104", + "105", + "106", + "107", + "108", + "109", + "110", + "111", + "112", + "113", + "114", + "115", + "116", + "117", + "118" + ] + } + } + }, + "dyall-aae3z": { + "display_name": "dyall-aae3z", + "other_names": [], + "description": "Dyall's augmented all-electron 3-zeta primitive basis set", + "latest_version": "1", + "tags": [], + "basename": "dyall-aae3z", + "relpath": "", + "family": "dyall", + "role": "orbital", + "function_types": [ + "gto", + "gto_spherical" + ], + "auxiliaries": {}, + "versions": { + "1": { + "file_relpath": "dyall-aae3z.1.table.json", + "revdesc": "Data from https://zenodo.org/records/7574629", + "revdate": "2024-11-17", + "elements": [ + "1", + "2", + "3", + "4", + "5", + "6", + "7", + "8", + "9", + "10", + "11", + "12", + "13", + "14", + "15", + "16", + "17", + "18", + "19", + "20", + "21", + "22", + "23", + "24", + "25", + "26", + "27", + "28", + "29", + "30", + "31", + "32", + "33", + "34", + "35", + "36", + "37", + "38", + "39", + "40", + "41", + "42", + "43", + "44", + "45", + "46", + "47", + "48", + "49", + "50", + "51", + "52", + "53", + "54", + "55", + "56", + "72", + "73", + "74", + "75", + "76", + "77", + "78", + "79", + "80", + "81", + "82", + "83", + "84", + "85", + "86", + "87", + "88", + "104", + "105", + "106", + "107", + "108", + "109", + "110", + "111", + "112", + "113", + "114", + "115", + "116", + "117", + "118" + ] + } + } + }, + "dyall-aae4z": { + "display_name": "dyall-aae4z", + "other_names": [], + "description": "Dyall's augmented all-electron 4-zeta primitive basis set", + "latest_version": "1", + "tags": [], + "basename": "dyall-aae4z", + "relpath": "", + "family": "dyall", + "role": "orbital", + "function_types": [ + "gto", + "gto_spherical" + ], + "auxiliaries": {}, + "versions": { + "1": { + "file_relpath": "dyall-aae4z.1.table.json", + "revdesc": "Data from https://zenodo.org/records/7574629", + "revdate": "2024-11-17", + "elements": [ + "1", + "2", + "3", + "4", + "5", + "6", + "7", + "8", + "9", + "10", + "11", + "12", + "13", + "14", + "15", + "16", + "17", + "18", + "19", + "20", + "21", + "22", + "23", + "24", + "25", + "26", + "27", + "28", + "29", + "30", + "31", + "32", + "33", + "34", + "35", + "36", + "37", + "38", + "39", + "40", + "41", + "42", + "43", + "44", + "45", + "46", + "47", + "48", + "49", + "50", + "51", + "52", + "53", + "54", + "55", + "56", + "72", + "73", + "74", + "75", + "76", + "77", + "78", + "79", + "80", + "81", + "82", + "83", + "84", + "85", + "86", + "87", + "88", + "104", + "105", + "106", + "107", + "108", + "109", + "110", + "111", + "112", + "113", + "114", + "115", + "116", + "117", + "118" + ] + } + } + }, + "dyall-acv2z": { + "display_name": "dyall-acv2z", + "other_names": [], + "description": "Dyall's augmented core-valence 2-zeta primitive basis set", + "latest_version": "1", + "tags": [], + "basename": "dyall-acv2z", + "relpath": "", + "family": "dyall", + "role": "orbital", + "function_types": [ + "gto", + "gto_spherical" + ], + "auxiliaries": {}, + "versions": { + "1": { + "file_relpath": "dyall-acv2z.1.table.json", + "revdesc": "Data from https://zenodo.org/records/7574629", + "revdate": "2024-11-17", + "elements": [ + "1", + "2", + "3", + "4", + "5", + "6", + "7", + "8", + "9", + "10", + "11", + "12", + "13", + "14", + "15", + "16", + "17", + "18", + "19", + "20", + "21", + "22", + "23", + "24", + "25", + "26", + "27", + "28", + "29", + "30", + "31", + "32", + "33", + "34", + "35", + "36", + "37", + "38", + "39", + "40", + "41", + "42", + "43", + "44", + "45", + "46", + "47", + "48", + "49", + "50", + "51", + "52", + "53", + "54", + "55", + "56", + "72", + "73", + "74", + "75", + "76", + "77", + "78", + "79", + "80", + "81", + "82", + "83", + "84", + "85", + "86", + "87", + "88", + "104", + "105", + "106", + "107", + "108", + "109", + "110", + "111", + "112", + "113", + "114", + "115", + "116", + "117", + "118" + ] + } + } + }, + "dyall-acv3z": { + "display_name": "dyall-acv3z", + "other_names": [], + "description": "Dyall's augmented core-valence 3-zeta primitive basis set", + "latest_version": "1", + "tags": [], + "basename": "dyall-acv3z", + "relpath": "", + "family": "dyall", + "role": "orbital", + "function_types": [ + "gto", + "gto_spherical" + ], + "auxiliaries": {}, + "versions": { + "1": { + "file_relpath": "dyall-acv3z.1.table.json", + "revdesc": "Data from https://zenodo.org/records/7574629", + "revdate": "2024-11-17", + "elements": [ + "1", + "2", + "3", + "4", + "5", + "6", + "7", + "8", + "9", + "10", + "11", + "12", + "13", + "14", + "15", + "16", + "17", + "18", + "19", + "20", + "21", + "22", + "23", + "24", + "25", + "26", + "27", + "28", + "29", + "30", + "31", + "32", + "33", + "34", + "35", + "36", + "37", + "38", + "39", + "40", + "41", + "42", + "43", + "44", + "45", + "46", + "47", + "48", + "49", + "50", + "51", + "52", + "53", + "54", + "55", + "56", + "72", + "73", + "74", + "75", + "76", + "77", + "78", + "79", + "80", + "81", + "82", + "83", + "84", + "85", + "86", + "87", + "88", + "104", + "105", + "106", + "107", + "108", + "109", + "110", + "111", + "112", + "113", + "114", + "115", + "116", + "117", + "118" + ] + } + } + }, + "dyall-acv4z": { + "display_name": "dyall-acv4z", + "other_names": [], + "description": "Dyall's augmented core-valence 4-zeta primitive basis set", + "latest_version": "1", + "tags": [], + "basename": "dyall-acv4z", + "relpath": "", + "family": "dyall", + "role": "orbital", + "function_types": [ + "gto", + "gto_spherical" + ], + "auxiliaries": {}, + "versions": { + "1": { + "file_relpath": "dyall-acv4z.1.table.json", + "revdesc": "Data from https://zenodo.org/records/7574629", + "revdate": "2024-11-17", + "elements": [ + "1", + "2", + "3", + "4", + "5", + "6", + "7", + "8", + "9", + "10", + "11", + "12", + "13", + "14", + "15", + "16", + "17", + "18", + "19", + "20", + "21", + "22", + "23", + "24", + "25", + "26", + "27", + "28", + "29", + "30", + "31", + "32", + "33", + "34", + "35", + "36", + "37", + "38", + "39", + "40", + "41", + "42", + "43", + "44", + "45", + "46", + "47", + "48", + "49", + "50", + "51", + "52", + "53", + "54", + "55", + "56", + "72", + "73", + "74", + "75", + "76", + "77", + "78", + "79", + "80", + "81", + "82", + "83", + "84", + "85", + "86", + "87", + "88", + "104", + "105", + "106", + "107", + "108", + "109", + "110", + "111", + "112", + "113", + "114", + "115", + "116", + "117", + "118" + ] + } + } + }, + "dyall-ae2z": { + "display_name": "dyall-ae2z", + "other_names": [], + "description": "Dyall's all-electron 2-zeta primitive basis set", + "latest_version": "1", + "tags": [], + "basename": "dyall-ae2z", + "relpath": "", + "family": "dyall", + "role": "orbital", + "function_types": [ + "gto", + "gto_spherical" + ], + "auxiliaries": {}, + "versions": { + "1": { + "file_relpath": "dyall-ae2z.1.table.json", + "revdesc": "Data from https://zenodo.org/records/7574629", + "revdate": "2024-11-17", + "elements": [ + "1", + "2", + "3", + "4", + "5", + "6", + "7", + "8", + "9", + "10", + "11", + "12", + "13", + "14", + "15", + "16", + "17", + "18", + "19", + "20", + "21", + "22", + "23", + "24", + "25", + "26", + "27", + "28", + "29", + "30", + "31", + "32", + "33", + "34", + "35", + "36", + "37", + "38", + "39", + "40", + "41", + "42", + "43", + "44", + "45", + "46", + "47", + "48", + "49", + "50", + "51", + "52", + "53", + "54", + "55", + "56", + "57", + "58", + "59", + "60", + "61", + "62", + "63", + "64", + "65", + "66", + "67", + "68", + "69", + "70", + "71", + "72", + "73", + "74", + "75", + "76", + "77", + "78", + "79", + "80", + "81", + "82", + "83", + "84", + "85", + "86", + "87", + "88", + "89", + "90", + "91", + "92", + "93", + "94", + "95", + "96", + "97", + "98", + "99", + "100", + "101", + "102", + "103", + "104", + "105", + "106", + "107", + "108", + "109", + "110", + "111", + "112", + "113", + "114", + "115", + "116", + "117", + "118" + ] + } + } + }, + "dyall-ae3z": { + "display_name": "dyall-ae3z", + "other_names": [], + "description": "Dyall's all-electron 3-zeta primitive basis set", + "latest_version": "1", + "tags": [], + "basename": "dyall-ae3z", + "relpath": "", + "family": "dyall", + "role": "orbital", + "function_types": [ + "gto", + "gto_spherical" + ], + "auxiliaries": {}, + "versions": { + "1": { + "file_relpath": "dyall-ae3z.1.table.json", + "revdesc": "Data from https://zenodo.org/records/7574629", + "revdate": "2024-11-17", + "elements": [ + "1", + "2", + "3", + "4", + "5", + "6", + "7", + "8", + "9", + "10", + "11", + "12", + "13", + "14", + "15", + "16", + "17", + "18", + "19", + "20", + "21", + "22", + "23", + "24", + "25", + "26", + "27", + "28", + "29", + "30", + "31", + "32", + "33", + "34", + "35", + "36", + "37", + "38", + "39", + "40", + "41", + "42", + "43", + "44", + "45", + "46", + "47", + "48", + "49", + "50", + "51", + "52", + "53", + "54", + "55", + "56", + "57", + "58", + "59", + "60", + "61", + "62", + "63", + "64", + "65", + "66", + "67", + "68", + "69", + "70", + "71", + "72", + "73", + "74", + "75", + "76", + "77", + "78", + "79", + "80", + "81", + "82", + "83", + "84", + "85", + "86", + "87", + "88", + "89", + "90", + "91", + "92", + "93", + "94", + "95", + "96", + "97", + "98", + "99", + "100", + "101", + "102", + "103", + "104", + "105", + "106", + "107", + "108", + "109", + "110", + "111", + "112", + "113", + "114", + "115", + "116", + "117", + "118" + ] + } + } + }, + "dyall-ae4z": { + "display_name": "dyall-ae4z", + "other_names": [], + "description": "Dyall's all-electron 4-zeta primitive basis set", + "latest_version": "1", + "tags": [], + "basename": "dyall-ae4z", + "relpath": "", + "family": "dyall", + "role": "orbital", + "function_types": [ + "gto", + "gto_spherical" + ], + "auxiliaries": {}, + "versions": { + "1": { + "file_relpath": "dyall-ae4z.1.table.json", + "revdesc": "Data from https://zenodo.org/records/7574629", + "revdate": "2024-11-17", + "elements": [ + "1", + "2", + "3", + "4", + "5", + "6", + "7", + "8", + "9", + "10", + "11", + "12", + "13", + "14", + "15", + "16", + "17", + "18", + "19", + "20", + "21", + "22", + "23", + "24", + "25", + "26", + "27", + "28", + "29", + "30", + "31", + "32", + "33", + "34", + "35", + "36", + "37", + "38", + "39", + "40", + "41", + "42", + "43", + "44", + "45", + "46", + "47", + "48", + "49", + "50", + "51", + "52", + "53", + "54", + "55", + "56", + "57", + "58", + "59", + "60", + "61", + "62", + "63", + "64", + "65", + "66", + "67", + "68", + "69", + "70", + "71", + "72", + "73", + "74", + "75", + "76", + "77", + "78", + "79", + "80", + "81", + "82", + "83", + "84", + "85", + "86", + "87", + "88", + "89", + "90", + "91", + "92", + "93", + "94", + "95", + "96", + "97", + "98", + "99", + "100", + "101", + "102", + "103", + "104", + "105", + "106", + "107", + "108", + "109", + "110", + "111", + "112", + "113", + "114", + "115", + "116", + "117", + "118" + ] + } + } + }, + "dyall-av2z": { + "display_name": "dyall-av2z", + "other_names": [], + "description": "Dyall's augmented valence 2-zeta primitive basis set", + "latest_version": "1", + "tags": [], + "basename": "dyall-av2z", + "relpath": "", + "family": "dyall", + "role": "orbital", + "function_types": [ + "gto", + "gto_spherical" + ], + "auxiliaries": {}, + "versions": { + "1": { + "file_relpath": "dyall-av2z.1.table.json", + "revdesc": "Data from https://zenodo.org/records/7574629", + "revdate": "2024-11-17", + "elements": [ + "1", + "2", + "3", + "4", + "5", + "6", + "7", + "8", + "9", + "10", + "11", + "12", + "13", + "14", + "15", + "16", + "17", + "18", + "19", + "20", + "21", + "22", + "23", + "24", + "25", + "26", + "27", + "28", + "29", + "30", + "31", + "32", + "33", + "34", + "35", + "36", + "37", + "38", + "39", + "40", + "41", + "42", + "43", + "44", + "45", + "46", + "47", + "48", + "49", + "50", + "51", + "52", + "53", + "54", + "55", + "56", + "72", + "73", + "74", + "75", + "76", + "77", + "78", + "79", + "80", + "81", + "82", + "83", + "84", + "85", + "86", + "87", + "88", + "104", + "105", + "106", + "107", + "108", + "109", + "110", + "111", + "112", + "113", + "114", + "115", + "116", + "117", + "118" + ] + } + } + }, + "dyall-av3z": { + "display_name": "dyall-av3z", + "other_names": [], + "description": "Dyall's augmented valence 3-zeta primitive basis set", + "latest_version": "1", + "tags": [], + "basename": "dyall-av3z", + "relpath": "", + "family": "dyall", + "role": "orbital", + "function_types": [ + "gto", + "gto_spherical" + ], + "auxiliaries": {}, + "versions": { + "1": { + "file_relpath": "dyall-av3z.1.table.json", + "revdesc": "Data from https://zenodo.org/records/7574629", + "revdate": "2024-11-17", + "elements": [ + "1", + "2", + "3", + "4", + "5", + "6", + "7", + "8", + "9", + "10", + "11", + "12", + "13", + "14", + "15", + "16", + "17", + "18", + "19", + "20", + "21", + "22", + "23", + "24", + "25", + "26", + "27", + "28", + "29", + "30", + "31", + "32", + "33", + "34", + "35", + "36", + "37", + "38", + "39", + "40", + "41", + "42", + "43", + "44", + "45", + "46", + "47", + "48", + "49", + "50", + "51", + "52", + "53", + "54", + "55", + "56", + "72", + "73", + "74", + "75", + "76", + "77", + "78", + "79", + "80", + "81", + "82", + "83", + "84", + "85", + "86", + "87", + "88", + "104", + "105", + "106", + "107", + "108", + "109", + "110", + "111", + "112", + "113", + "114", + "115", + "116", + "117", + "118" + ] + } + } + }, + "dyall-av4z": { + "display_name": "dyall-av4z", + "other_names": [], + "description": "Dyall's augmented valence 4-zeta primitive basis set", + "latest_version": "1", + "tags": [], + "basename": "dyall-av4z", + "relpath": "", + "family": "dyall", + "role": "orbital", + "function_types": [ + "gto", + "gto_spherical" + ], + "auxiliaries": {}, + "versions": { + "1": { + "file_relpath": "dyall-av4z.1.table.json", + "revdesc": "Data from https://zenodo.org/records/7574629", + "revdate": "2024-11-17", + "elements": [ + "1", + "2", + "3", + "4", + "5", + "6", + "7", + "8", + "9", + "10", + "11", + "12", + "13", + "14", + "15", + "16", + "17", + "18", + "19", + "20", + "21", + "22", + "23", + "24", + "25", + "26", + "27", + "28", + "29", + "30", + "31", + "32", + "33", + "34", + "35", + "36", + "37", + "38", + "39", + "40", + "41", + "42", + "43", + "44", + "45", + "46", + "47", + "48", + "49", + "50", + "51", + "52", + "53", + "54", + "55", + "56", + "72", + "73", + "74", + "75", + "76", + "77", + "78", + "79", + "80", + "81", + "82", + "83", + "84", + "85", + "86", + "87", + "88", + "104", + "105", + "106", + "107", + "108", + "109", + "110", + "111", + "112", + "113", + "114", + "115", + "116", + "117", + "118" + ] + } + } + }, + "dyall-cv2z": { + "display_name": "dyall-cv2z", + "other_names": [], + "description": "Dyall's core-valence 2-zeta primitive basis set", + "latest_version": "1", + "tags": [], + "basename": "dyall-cv2z", + "relpath": "", + "family": "dyall", + "role": "orbital", + "function_types": [ + "gto", + "gto_spherical" + ], + "auxiliaries": {}, + "versions": { + "1": { + "file_relpath": "dyall-cv2z.1.table.json", + "revdesc": "Data from https://zenodo.org/records/7574629", + "revdate": "2024-11-17", + "elements": [ + "1", + "2", + "3", + "4", + "5", + "6", + "7", + "8", + "9", + "10", + "11", + "12", + "13", + "14", + "15", + "16", + "17", + "18", + "19", + "20", + "21", + "22", + "23", + "24", + "25", + "26", + "27", + "28", + "29", + "30", + "31", + "32", + "33", + "34", + "35", + "36", + "37", + "38", + "39", + "40", + "41", + "42", + "43", + "44", + "45", + "46", + "47", + "48", + "49", + "50", + "51", + "52", + "53", + "54", + "55", + "56", + "57", + "58", + "59", + "60", + "61", + "62", + "63", + "64", + "65", + "66", + "67", + "68", + "69", + "70", + "71", + "72", + "73", + "74", + "75", + "76", + "77", + "78", + "79", + "80", + "81", + "82", + "83", + "84", + "85", + "86", + "87", + "88", + "89", + "90", + "91", + "92", + "93", + "94", + "95", + "96", + "97", + "98", + "99", + "100", + "101", + "102", + "103", + "104", + "105", + "106", + "107", + "108", + "109", + "110", + "111", + "112", + "113", + "114", + "115", + "116", + "117", + "118" + ] + } + } + }, + "dyall-cv3z": { + "display_name": "dyall-cv3z", + "other_names": [], + "description": "Dyall's core-valence 3-zeta primitive basis set", + "latest_version": "1", + "tags": [], + "basename": "dyall-cv3z", + "relpath": "", + "family": "dyall", + "role": "orbital", + "function_types": [ + "gto", + "gto_spherical" + ], + "auxiliaries": {}, + "versions": { + "1": { + "file_relpath": "dyall-cv3z.1.table.json", + "revdesc": "Data from https://zenodo.org/records/7574629", + "revdate": "2024-11-17", + "elements": [ + "1", + "2", + "3", + "4", + "5", + "6", + "7", + "8", + "9", + "10", + "11", + "12", + "13", + "14", + "15", + "16", + "17", + "18", + "19", + "20", + "21", + "22", + "23", + "24", + "25", + "26", + "27", + "28", + "29", + "30", + "31", + "32", + "33", + "34", + "35", + "36", + "37", + "38", + "39", + "40", + "41", + "42", + "43", + "44", + "45", + "46", + "47", + "48", + "49", + "50", + "51", + "52", + "53", + "54", + "55", + "56", + "57", + "58", + "59", + "60", + "61", + "62", + "63", + "64", + "65", + "66", + "67", + "68", + "69", + "70", + "71", + "72", + "73", + "74", + "75", + "76", + "77", + "78", + "79", + "80", + "81", + "82", + "83", + "84", + "85", + "86", + "87", + "88", + "89", + "90", + "91", + "92", + "93", + "94", + "95", + "96", + "97", + "98", + "99", + "100", + "101", + "102", + "103", + "104", + "105", + "106", + "107", + "108", + "109", + "110", + "111", + "112", + "113", + "114", + "115", + "116", + "117", + "118" + ] + } + } + }, + "dyall-cv4z": { + "display_name": "dyall-cv4z", + "other_names": [], + "description": "Dyall's core-valence 4-zeta primitive basis set", + "latest_version": "1", + "tags": [], + "basename": "dyall-cv4z", + "relpath": "", + "family": "dyall", + "role": "orbital", + "function_types": [ + "gto", + "gto_spherical" + ], + "auxiliaries": {}, + "versions": { + "1": { + "file_relpath": "dyall-cv4z.1.table.json", + "revdesc": "Data from https://zenodo.org/records/7574629", + "revdate": "2024-11-17", + "elements": [ + "1", + "2", + "3", + "4", + "5", + "6", + "7", + "8", + "9", + "10", + "11", + "12", + "13", + "14", + "15", + "16", + "17", + "18", + "19", + "20", + "21", + "22", + "23", + "24", + "25", + "26", + "27", + "28", + "29", + "30", + "31", + "32", + "33", + "34", + "35", + "36", + "37", + "38", + "39", + "40", + "41", + "42", + "43", + "44", + "45", + "46", + "47", + "48", + "49", + "50", + "51", + "52", + "53", + "54", + "55", + "56", + "57", + "58", + "59", + "60", + "61", + "62", + "63", + "64", + "65", + "66", + "67", + "68", + "69", + "70", + "71", + "72", + "73", + "74", + "75", + "76", + "77", + "78", + "79", + "80", + "81", + "82", + "83", + "84", + "85", + "86", + "87", + "88", + "89", + "90", + "91", + "92", + "93", + "94", + "95", + "96", + "97", + "98", + "99", + "100", + "101", + "102", + "103", + "104", + "105", + "106", + "107", + "108", + "109", + "110", + "111", + "112", + "113", + "114", + "115", + "116", + "117", + "118" + ] + } + } + }, + "dyall-v2z": { + "display_name": "dyall-v2z", + "other_names": [], + "description": "Dyall's valence 2-zeta primitive basis set", + "latest_version": "1", + "tags": [], + "basename": "dyall-v2z", + "relpath": "", + "family": "dyall", + "role": "orbital", + "function_types": [ + "gto", + "gto_spherical" + ], + "auxiliaries": {}, + "versions": { + "1": { + "file_relpath": "dyall-v2z.1.table.json", + "revdesc": "Data from https://zenodo.org/records/7574629", + "revdate": "2024-11-17", + "elements": [ + "1", + "2", + "3", + "4", + "5", + "6", + "7", + "8", + "9", + "10", + "11", + "12", + "13", + "14", + "15", + "16", + "17", + "18", + "19", + "20", + "21", + "22", + "23", + "24", + "25", + "26", + "27", + "28", + "29", + "30", + "31", + "32", + "33", + "34", + "35", + "36", + "37", + "38", + "39", + "40", + "41", + "42", + "43", + "44", + "45", + "46", + "47", + "48", + "49", + "50", + "51", + "52", + "53", + "54", + "55", + "56", + "57", + "58", + "59", + "60", + "61", + "62", + "63", + "64", + "65", + "66", + "67", + "68", + "69", + "70", + "71", + "72", + "73", + "74", + "75", + "76", + "77", + "78", + "79", + "80", + "81", + "82", + "83", + "84", + "85", + "86", + "87", + "88", + "89", + "90", + "91", + "92", + "93", + "94", + "95", + "96", + "97", + "98", + "99", + "100", + "101", + "102", + "103", + "104", + "105", + "106", + "107", + "108", + "109", + "110", + "111", + "112", + "113", + "114", + "115", + "116", + "117", + "118" + ] + } + } + }, + "dyall-v3z": { + "display_name": "dyall-v3z", + "other_names": [], + "description": "Dyall's valence 3-zeta primitive basis set", + "latest_version": "1", + "tags": [], + "basename": "dyall-v3z", + "relpath": "", + "family": "dyall", + "role": "orbital", + "function_types": [ + "gto", + "gto_spherical" + ], + "auxiliaries": {}, + "versions": { + "1": { + "file_relpath": "dyall-v3z.1.table.json", + "revdesc": "Data from https://zenodo.org/records/7574629", + "revdate": "2024-11-17", + "elements": [ + "1", + "2", + "3", + "4", + "5", + "6", + "7", + "8", + "9", + "10", + "11", + "12", + "13", + "14", + "15", + "16", + "17", + "18", + "19", + "20", + "21", + "22", + "23", + "24", + "25", + "26", + "27", + "28", + "29", + "30", + "31", + "32", + "33", + "34", + "35", + "36", + "37", + "38", + "39", + "40", + "41", + "42", + "43", + "44", + "45", + "46", + "47", + "48", + "49", + "50", + "51", + "52", + "53", + "54", + "55", + "56", + "57", + "58", + "59", + "60", + "61", + "62", + "63", + "64", + "65", + "66", + "67", + "68", + "69", + "70", + "71", + "72", + "73", + "74", + "75", + "76", + "77", + "78", + "79", + "80", + "81", + "82", + "83", + "84", + "85", + "86", + "87", + "88", + "89", + "90", + "91", + "92", + "93", + "94", + "95", + "96", + "97", + "98", + "99", + "100", + "101", + "102", + "103", + "104", + "105", + "106", + "107", + "108", + "109", + "110", + "111", + "112", + "113", + "114", + "115", + "116", + "117", + "118" + ] + } + } + }, + "dyall-v4z": { + "display_name": "dyall-v4z", + "other_names": [], + "description": "Dyall's valence 4-zeta primitive basis set", + "latest_version": "1", + "tags": [], + "basename": "dyall-v4z", + "relpath": "", + "family": "dyall", + "role": "orbital", + "function_types": [ + "gto", + "gto_spherical" + ], + "auxiliaries": {}, + "versions": { + "1": { + "file_relpath": "dyall-v4z.1.table.json", + "revdesc": "Data from https://zenodo.org/records/7574629", + "revdate": "2024-11-17", + "elements": [ + "1", + "2", + "3", + "4", + "5", + "6", + "7", + "8", + "9", + "10", + "11", + "12", + "13", + "14", + "15", + "16", + "17", + "18", + "19", + "20", + "21", + "22", + "23", + "24", + "25", + "26", + "27", + "28", + "29", + "30", + "31", + "32", + "33", + "34", + "35", + "36", + "37", + "38", + "39", + "40", + "41", + "42", + "43", + "44", + "45", + "46", + "47", + "48", + "49", + "50", + "51", + "52", + "53", + "54", + "55", + "56", + "57", + "58", + "59", + "60", + "61", + "62", + "63", + "64", + "65", + "66", + "67", + "68", + "69", + "70", + "71", + "72", + "73", + "74", + "75", + "76", + "77", + "78", + "79", + "80", + "81", + "82", + "83", + "84", + "85", + "86", + "87", + "88", + "89", + "90", + "91", + "92", + "93", + "94", + "95", + "96", + "97", + "98", + "99", + "100", + "101", + "102", + "103", + "104", + "105", + "106", + "107", + "108", + "109", + "110", + "111", + "112", + "113", + "114", + "115", + "116", + "117", + "118" + ] + } + } + }, "dz (dunning-hay)": { "display_name": "DZ (Dunning-Hay)", "other_names": [], diff --git a/basis_set_exchange/data/REFERENCES.json b/basis_set_exchange/data/REFERENCES.json index 2a5c6bc1..bc08d11b 100644 --- a/basis_set_exchange/data/REFERENCES.json +++ b/basis_set_exchange/data/REFERENCES.json @@ -1242,6 +1242,174 @@ "year": "2001", "doi": "10.1063/1.1367373" }, + "dyall1998a" : { + "_entry_type": "article", + "authors": [ + "Dyall, Kenneth G." + ], + "title": "Relativistic and nonrelativistic finite nucleus optimized double zeta basis sets for the 4p, 5p and 6p elements", + "journal": "Theor. Chem. Acc.", + "volume": "99", + "pages": "366--371", + "year": "1998", + "doi": "10.1007/s002140050349" + }, + "dyall2002a" : { + "_entry_type": "article", + "authors": [ + "Dyall, Kenneth G." + ], + "title": "Relativistic and nonrelativistic finite nucleus optimized triple-zeta basis sets for the 4p, 5p and 6p elements", + "journal": "Theor. Chem. Acc.", + "volume": "108", + "pages": "335--340", + "year": "2002", + "doi": "10.1007/s00214-002-0388-0" + }, + "dyall2004a" : { + "_entry_type": "article", + "authors": [ + "Dyall, Kenneth G." + ], + "title": "Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the 5d elements Hf–Hg", + "journal": "Theor. Chem. Acc.", + "volume": "112", + "pages": "403--409", + "year": "2004", + "doi": "10.1007/s00214-004-0607-y" + }, + "dyall2006a" : { + "_entry_type": "article", + "authors": [ + "Dyall, Kenneth G." + ], + "title": "Relativistic Quadruple-Zeta and Revised Triple-Zeta and Double-Zeta Basis Sets for the 4p, 5p, and 6p Elements", + "journal": "Theor. Chem. Acc.", + "volume": "115", + "pages": "441--447", + "year": "2006", + "doi": "10.1007/s00214-006-0126-0" + }, + "dyall2007a" : { + "_entry_type": "article", + "authors": [ + "Dyall, Kenneth G." + ], + "title": "Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the 4d elements Y–Cd", + "journal": "Theor. Chem. Acc.", + "volume": "117", + "pages": "483--489", + "year": "2007", + "doi": "10.1007/s00214-006-0174-5" + }, + "dyall2007b" : { + "_entry_type": "article", + "authors": [ + "Dyall, Kenneth G." + ], + "title": "Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the actinides Ac–Lr", + "journal": "Theor. Chem. Acc.", + "volume": "117", + "pages": "491--500", + "year": "2007", + "doi": "10.1007/s00214-006-0175-4" + }, + "dyall2009a" : { + "_entry_type": "article", + "authors": [ + "Dyall, Kenneth G." + ], + "title": "Relativistic Double-Zeta, Triple-Zeta, and Quadruple-Zeta Basis Sets for the 4s, 5s, 6s, and 7s Elements", + "journal": "J. Phys. Chem. A", + "volume": "113", + "pages": "12638--12644", + "year": "2009", + "doi": "10.1021/jp905057q" + }, + "dyall2010a" : { + "_entry_type": "article", + "authors": [ + "Dyall, Kenneth G." + ], + "title": "Revised relativistic basis sets for the 5d elements Hf–Hg", + "journal": "Theor. Chem. Acc.", + "volume": "125", + "pages": "97--100", + "year": "2010", + "doi": "10.1007/s00214-009-0717-7" + }, + "dyall2011a" : { + "_entry_type": "article", + "authors": [ + "Dyall, Kenneth G." + ], + "title": "Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the 6d elements Rf–Cn", + "journal": "Theor. Chem. Acc.", + "volume": "129", + "pages": "603--613", + "year": "2011", + "doi": "10.1007/s00214-011-0906-z" + }, + "dyall2012a" : { + "_entry_type": "article", + "authors": [ + "Dyall, Kenneth G." + ], + "title": "Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the 7p elements, with atomic and molecular applications", + "journal": "Theor. Chem. Acc.", + "volume": "131", + "pages": "1172", + "year": "2012", + "doi": "10.1007/s00214-012-1172-4" + }, + "dyall2012b" : { + "_entry_type": "article", + "authors": [ + "Dyall, Kenneth G." + ], + "title": "Core correlating basis functions for elements 31–118", + "journal": "Theor. Chem. Acc.", + "volume": "131", + "pages": "1217", + "year": "2012", + "doi": "10.1007/s00214-012-1217-8" + }, + "dyall2016a" : { + "_entry_type": "article", + "authors": [ + "Dyall, Kenneth G." + ], + "title": "Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the light elements H–Ar", + "journal": "Theor. Chem. Acc.", + "volume": "135", + "pages": "128", + "year": "2016", + "doi": "10.1007/s00214-016-1884-y" + }, + "dyall2023a" : { + "_entry_type": "article", + "authors": [ + "Dyall, Kenneth G.", + "Tecmer, Paweł", + "Sunaga, Ayaki" + ], + "title": "Diffuse Basis Functions for Relativistic s and d Block Gaussian Basis Sets", + "journal": "J. Chem. Theory Comput.", + "volume": "19", + "pages": "198--210", + "year": "2023", + "doi": "10.1021/acs.jctc.2c01050" + }, + "dyall2023b": { + "_entry_type": "dataset", + "authors": [ + "Dyall, Kenneth G." + ], + "title": "Dyall dz, tz, and qz basis sets for relativistic electronic structure calculations", + "publisher" : "Zenodo", + "year" : "2023", + "doi" : "10.5281/zenodo.7574629" + }, "dyallXXXXa": { "_entry_type": "misc", "authors": [ @@ -1829,6 +1997,20 @@ "year": "1992", "doi": "10.1139/v92-079" }, + "gomes2010a": { + "_entry_type": "article", + "authors": [ + "Gomes, André S. P.", + "Dyall, Kenneth G.", + "Visscher, Lucas" + ], + "title": "Relativistic double-zeta, triple-zeta, and quadruple-zeta basis sets for the lanthanides La–Lu", + "journal": "Theor. Chem. Acc.", + "volume": "127", + "pages": "369--381", + "year": "2010", + "doi": "10.1007/s00214-009-0725-7" + }, "gordon1978a": { "_entry_type": "article", "authors": [ diff --git a/basis_set_exchange/data/dyall-aae2z.1.table.json b/basis_set_exchange/data/dyall-aae2z.1.table.json new file mode 100644 index 00000000..07322d6f --- /dev/null +++ b/basis_set_exchange/data/dyall-aae2z.1.table.json @@ -0,0 +1,98 @@ +{ + "molssi_bse_schema": { + "schema_type": "table", + "schema_version": "0.1" + }, + "revision_description": "Data from https://zenodo.org/records/7574629", + "revision_date": "2024-11-17", + "elements": { + "1": "dyall/dyall-aae2z.1.element.json", + "2": "dyall/dyall-aae2z.1.element.json", + "3": "dyall/dyall-aae2z.1.element.json", + "4": "dyall/dyall-aae2z.1.element.json", + "5": "dyall/dyall-aae2z.1.element.json", + "6": "dyall/dyall-aae2z.1.element.json", + "7": "dyall/dyall-aae2z.1.element.json", + "8": "dyall/dyall-aae2z.1.element.json", + "9": "dyall/dyall-aae2z.1.element.json", + "10": "dyall/dyall-aae2z.1.element.json", + "11": "dyall/dyall-aae2z.1.element.json", + "12": "dyall/dyall-aae2z.1.element.json", + "13": "dyall/dyall-aae2z.1.element.json", + "14": "dyall/dyall-aae2z.1.element.json", + "15": "dyall/dyall-aae2z.1.element.json", + "16": "dyall/dyall-aae2z.1.element.json", + "17": "dyall/dyall-aae2z.1.element.json", + "18": "dyall/dyall-aae2z.1.element.json", + "19": "dyall/dyall-aae2z.1.element.json", + "20": "dyall/dyall-aae2z.1.element.json", + "21": "dyall/dyall-aae2z.1.element.json", + "22": "dyall/dyall-aae2z.1.element.json", + "23": "dyall/dyall-aae2z.1.element.json", + "24": "dyall/dyall-aae2z.1.element.json", + "25": "dyall/dyall-aae2z.1.element.json", + "26": "dyall/dyall-aae2z.1.element.json", + "27": "dyall/dyall-aae2z.1.element.json", + "28": "dyall/dyall-aae2z.1.element.json", + "29": "dyall/dyall-aae2z.1.element.json", + "30": "dyall/dyall-aae2z.1.element.json", + "31": "dyall/dyall-aae2z.1.element.json", + "32": "dyall/dyall-aae2z.1.element.json", + "33": "dyall/dyall-aae2z.1.element.json", + "34": "dyall/dyall-aae2z.1.element.json", + "35": "dyall/dyall-aae2z.1.element.json", + "36": "dyall/dyall-aae2z.1.element.json", + "37": "dyall/dyall-aae2z.1.element.json", + "38": "dyall/dyall-aae2z.1.element.json", + "39": "dyall/dyall-aae2z.1.element.json", + "40": "dyall/dyall-aae2z.1.element.json", + "41": "dyall/dyall-aae2z.1.element.json", + "42": "dyall/dyall-aae2z.1.element.json", + "43": "dyall/dyall-aae2z.1.element.json", + "44": "dyall/dyall-aae2z.1.element.json", + "45": "dyall/dyall-aae2z.1.element.json", + "46": "dyall/dyall-aae2z.1.element.json", + "47": "dyall/dyall-aae2z.1.element.json", + "48": "dyall/dyall-aae2z.1.element.json", + "49": "dyall/dyall-aae2z.1.element.json", + "50": "dyall/dyall-aae2z.1.element.json", + "51": "dyall/dyall-aae2z.1.element.json", + "52": "dyall/dyall-aae2z.1.element.json", + "53": "dyall/dyall-aae2z.1.element.json", + "54": "dyall/dyall-aae2z.1.element.json", + "55": "dyall/dyall-aae2z.1.element.json", + "56": "dyall/dyall-aae2z.1.element.json", + "72": "dyall/dyall-aae2z.1.element.json", + "73": "dyall/dyall-aae2z.1.element.json", + "74": "dyall/dyall-aae2z.1.element.json", + "75": "dyall/dyall-aae2z.1.element.json", + "76": "dyall/dyall-aae2z.1.element.json", + "77": "dyall/dyall-aae2z.1.element.json", + "78": "dyall/dyall-aae2z.1.element.json", + "79": "dyall/dyall-aae2z.1.element.json", + "80": "dyall/dyall-aae2z.1.element.json", + "81": "dyall/dyall-aae2z.1.element.json", + "82": "dyall/dyall-aae2z.1.element.json", + "83": "dyall/dyall-aae2z.1.element.json", + "84": "dyall/dyall-aae2z.1.element.json", + "85": "dyall/dyall-aae2z.1.element.json", + "86": "dyall/dyall-aae2z.1.element.json", + "87": "dyall/dyall-aae2z.1.element.json", + "88": "dyall/dyall-aae2z.1.element.json", + "104": "dyall/dyall-aae2z.1.element.json", + "105": "dyall/dyall-aae2z.1.element.json", + "106": "dyall/dyall-aae2z.1.element.json", + "107": "dyall/dyall-aae2z.1.element.json", + "108": "dyall/dyall-aae2z.1.element.json", + "109": "dyall/dyall-aae2z.1.element.json", + "110": "dyall/dyall-aae2z.1.element.json", + "111": "dyall/dyall-aae2z.1.element.json", + "112": "dyall/dyall-aae2z.1.element.json", + "113": "dyall/dyall-aae2z.1.element.json", + "114": "dyall/dyall-aae2z.1.element.json", + "115": "dyall/dyall-aae2z.1.element.json", + "116": "dyall/dyall-aae2z.1.element.json", + "117": "dyall/dyall-aae2z.1.element.json", + "118": "dyall/dyall-aae2z.1.element.json" + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-aae2z.metadata.json b/basis_set_exchange/data/dyall-aae2z.metadata.json new file mode 100644 index 00000000..dd126a77 --- /dev/null +++ b/basis_set_exchange/data/dyall-aae2z.metadata.json @@ -0,0 +1,14 @@ +{ + "molssi_bse_schema": { + "schema_type": "metadata", + "schema_version": "0.1" + }, + "names": [ + "dyall-aae2z" + ], + "tags": [], + "family": "dyall", + "description": "Dyall's augmented all-electron 2-zeta primitive basis set", + "role": "orbital", + "auxiliaries": {} +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-aae3z.1.table.json b/basis_set_exchange/data/dyall-aae3z.1.table.json new file mode 100644 index 00000000..f4f505c7 --- /dev/null +++ b/basis_set_exchange/data/dyall-aae3z.1.table.json @@ -0,0 +1,98 @@ +{ + "molssi_bse_schema": { + "schema_type": "table", + "schema_version": "0.1" + }, + "revision_description": "Data from https://zenodo.org/records/7574629", + "revision_date": "2024-11-17", + "elements": { + "1": "dyall/dyall-aae3z.1.element.json", + "2": "dyall/dyall-aae3z.1.element.json", + "3": "dyall/dyall-aae3z.1.element.json", + "4": "dyall/dyall-aae3z.1.element.json", + "5": "dyall/dyall-aae3z.1.element.json", + "6": "dyall/dyall-aae3z.1.element.json", + "7": "dyall/dyall-aae3z.1.element.json", + "8": "dyall/dyall-aae3z.1.element.json", + "9": "dyall/dyall-aae3z.1.element.json", + "10": "dyall/dyall-aae3z.1.element.json", + "11": "dyall/dyall-aae3z.1.element.json", + "12": "dyall/dyall-aae3z.1.element.json", + "13": "dyall/dyall-aae3z.1.element.json", + "14": "dyall/dyall-aae3z.1.element.json", + "15": "dyall/dyall-aae3z.1.element.json", + "16": "dyall/dyall-aae3z.1.element.json", + "17": "dyall/dyall-aae3z.1.element.json", + "18": "dyall/dyall-aae3z.1.element.json", + "19": "dyall/dyall-aae3z.1.element.json", + "20": "dyall/dyall-aae3z.1.element.json", + "21": "dyall/dyall-aae3z.1.element.json", + "22": "dyall/dyall-aae3z.1.element.json", + "23": "dyall/dyall-aae3z.1.element.json", + "24": "dyall/dyall-aae3z.1.element.json", + "25": "dyall/dyall-aae3z.1.element.json", + "26": "dyall/dyall-aae3z.1.element.json", + "27": "dyall/dyall-aae3z.1.element.json", + "28": "dyall/dyall-aae3z.1.element.json", + "29": "dyall/dyall-aae3z.1.element.json", + "30": "dyall/dyall-aae3z.1.element.json", + "31": "dyall/dyall-aae3z.1.element.json", + "32": "dyall/dyall-aae3z.1.element.json", + "33": "dyall/dyall-aae3z.1.element.json", + "34": "dyall/dyall-aae3z.1.element.json", + "35": "dyall/dyall-aae3z.1.element.json", + "36": "dyall/dyall-aae3z.1.element.json", + "37": "dyall/dyall-aae3z.1.element.json", + "38": "dyall/dyall-aae3z.1.element.json", + "39": "dyall/dyall-aae3z.1.element.json", + "40": "dyall/dyall-aae3z.1.element.json", + "41": "dyall/dyall-aae3z.1.element.json", + "42": "dyall/dyall-aae3z.1.element.json", + "43": "dyall/dyall-aae3z.1.element.json", + "44": "dyall/dyall-aae3z.1.element.json", + "45": "dyall/dyall-aae3z.1.element.json", + "46": "dyall/dyall-aae3z.1.element.json", + "47": "dyall/dyall-aae3z.1.element.json", + "48": "dyall/dyall-aae3z.1.element.json", + "49": "dyall/dyall-aae3z.1.element.json", + "50": "dyall/dyall-aae3z.1.element.json", + "51": "dyall/dyall-aae3z.1.element.json", + "52": "dyall/dyall-aae3z.1.element.json", + "53": "dyall/dyall-aae3z.1.element.json", + "54": "dyall/dyall-aae3z.1.element.json", + "55": "dyall/dyall-aae3z.1.element.json", + "56": "dyall/dyall-aae3z.1.element.json", + "72": "dyall/dyall-aae3z.1.element.json", + "73": "dyall/dyall-aae3z.1.element.json", + "74": "dyall/dyall-aae3z.1.element.json", + "75": "dyall/dyall-aae3z.1.element.json", + "76": "dyall/dyall-aae3z.1.element.json", + "77": "dyall/dyall-aae3z.1.element.json", + "78": "dyall/dyall-aae3z.1.element.json", + "79": "dyall/dyall-aae3z.1.element.json", + "80": "dyall/dyall-aae3z.1.element.json", + "81": "dyall/dyall-aae3z.1.element.json", + "82": "dyall/dyall-aae3z.1.element.json", + "83": "dyall/dyall-aae3z.1.element.json", + "84": "dyall/dyall-aae3z.1.element.json", + "85": "dyall/dyall-aae3z.1.element.json", + "86": "dyall/dyall-aae3z.1.element.json", + "87": "dyall/dyall-aae3z.1.element.json", + "88": "dyall/dyall-aae3z.1.element.json", + "104": "dyall/dyall-aae3z.1.element.json", + "105": "dyall/dyall-aae3z.1.element.json", + "106": "dyall/dyall-aae3z.1.element.json", + "107": "dyall/dyall-aae3z.1.element.json", + "108": "dyall/dyall-aae3z.1.element.json", + "109": "dyall/dyall-aae3z.1.element.json", + "110": "dyall/dyall-aae3z.1.element.json", + "111": "dyall/dyall-aae3z.1.element.json", + "112": "dyall/dyall-aae3z.1.element.json", + "113": "dyall/dyall-aae3z.1.element.json", + "114": "dyall/dyall-aae3z.1.element.json", + "115": "dyall/dyall-aae3z.1.element.json", + "116": "dyall/dyall-aae3z.1.element.json", + "117": "dyall/dyall-aae3z.1.element.json", + "118": "dyall/dyall-aae3z.1.element.json" + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-aae3z.metadata.json b/basis_set_exchange/data/dyall-aae3z.metadata.json new file mode 100644 index 00000000..ccf6e0fc --- /dev/null +++ b/basis_set_exchange/data/dyall-aae3z.metadata.json @@ -0,0 +1,14 @@ +{ + "molssi_bse_schema": { + "schema_type": "metadata", + "schema_version": "0.1" + }, + "names": [ + "dyall-aae3z" + ], + "tags": [], + "family": "dyall", + "description": "Dyall's augmented all-electron 3-zeta primitive basis set", + "role": "orbital", + "auxiliaries": {} +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-aae4z.1.table.json b/basis_set_exchange/data/dyall-aae4z.1.table.json new file mode 100644 index 00000000..6695a025 --- /dev/null +++ b/basis_set_exchange/data/dyall-aae4z.1.table.json @@ -0,0 +1,98 @@ +{ + "molssi_bse_schema": { + "schema_type": "table", + "schema_version": "0.1" + }, + "revision_description": "Data from https://zenodo.org/records/7574629", + "revision_date": "2024-11-17", + "elements": { + "1": "dyall/dyall-aae4z.1.element.json", + "2": "dyall/dyall-aae4z.1.element.json", + "3": "dyall/dyall-aae4z.1.element.json", + "4": "dyall/dyall-aae4z.1.element.json", + "5": "dyall/dyall-aae4z.1.element.json", + "6": "dyall/dyall-aae4z.1.element.json", + "7": "dyall/dyall-aae4z.1.element.json", + "8": "dyall/dyall-aae4z.1.element.json", + "9": "dyall/dyall-aae4z.1.element.json", + "10": "dyall/dyall-aae4z.1.element.json", + "11": "dyall/dyall-aae4z.1.element.json", + "12": "dyall/dyall-aae4z.1.element.json", + "13": "dyall/dyall-aae4z.1.element.json", + "14": "dyall/dyall-aae4z.1.element.json", + "15": "dyall/dyall-aae4z.1.element.json", + "16": "dyall/dyall-aae4z.1.element.json", + "17": "dyall/dyall-aae4z.1.element.json", + "18": "dyall/dyall-aae4z.1.element.json", + "19": "dyall/dyall-aae4z.1.element.json", + "20": "dyall/dyall-aae4z.1.element.json", + "21": "dyall/dyall-aae4z.1.element.json", + "22": "dyall/dyall-aae4z.1.element.json", + "23": "dyall/dyall-aae4z.1.element.json", + "24": "dyall/dyall-aae4z.1.element.json", + "25": "dyall/dyall-aae4z.1.element.json", + "26": "dyall/dyall-aae4z.1.element.json", + "27": "dyall/dyall-aae4z.1.element.json", + "28": "dyall/dyall-aae4z.1.element.json", + "29": "dyall/dyall-aae4z.1.element.json", + "30": "dyall/dyall-aae4z.1.element.json", + "31": "dyall/dyall-aae4z.1.element.json", + "32": "dyall/dyall-aae4z.1.element.json", + "33": "dyall/dyall-aae4z.1.element.json", + "34": "dyall/dyall-aae4z.1.element.json", + "35": "dyall/dyall-aae4z.1.element.json", + "36": "dyall/dyall-aae4z.1.element.json", + "37": "dyall/dyall-aae4z.1.element.json", + "38": "dyall/dyall-aae4z.1.element.json", + "39": "dyall/dyall-aae4z.1.element.json", + "40": "dyall/dyall-aae4z.1.element.json", + "41": "dyall/dyall-aae4z.1.element.json", + "42": "dyall/dyall-aae4z.1.element.json", + "43": "dyall/dyall-aae4z.1.element.json", + "44": "dyall/dyall-aae4z.1.element.json", + "45": "dyall/dyall-aae4z.1.element.json", + "46": "dyall/dyall-aae4z.1.element.json", + "47": "dyall/dyall-aae4z.1.element.json", + "48": "dyall/dyall-aae4z.1.element.json", + "49": "dyall/dyall-aae4z.1.element.json", + "50": "dyall/dyall-aae4z.1.element.json", + "51": "dyall/dyall-aae4z.1.element.json", + "52": "dyall/dyall-aae4z.1.element.json", + "53": "dyall/dyall-aae4z.1.element.json", + "54": "dyall/dyall-aae4z.1.element.json", + "55": "dyall/dyall-aae4z.1.element.json", + "56": "dyall/dyall-aae4z.1.element.json", + "72": "dyall/dyall-aae4z.1.element.json", + "73": "dyall/dyall-aae4z.1.element.json", + "74": "dyall/dyall-aae4z.1.element.json", + "75": "dyall/dyall-aae4z.1.element.json", + "76": "dyall/dyall-aae4z.1.element.json", + "77": "dyall/dyall-aae4z.1.element.json", + "78": "dyall/dyall-aae4z.1.element.json", + "79": "dyall/dyall-aae4z.1.element.json", + "80": "dyall/dyall-aae4z.1.element.json", + "81": "dyall/dyall-aae4z.1.element.json", + "82": "dyall/dyall-aae4z.1.element.json", + "83": "dyall/dyall-aae4z.1.element.json", + "84": "dyall/dyall-aae4z.1.element.json", + "85": "dyall/dyall-aae4z.1.element.json", + "86": "dyall/dyall-aae4z.1.element.json", + "87": "dyall/dyall-aae4z.1.element.json", + "88": "dyall/dyall-aae4z.1.element.json", + "104": "dyall/dyall-aae4z.1.element.json", + "105": "dyall/dyall-aae4z.1.element.json", + "106": "dyall/dyall-aae4z.1.element.json", + "107": "dyall/dyall-aae4z.1.element.json", + "108": "dyall/dyall-aae4z.1.element.json", + "109": "dyall/dyall-aae4z.1.element.json", + "110": "dyall/dyall-aae4z.1.element.json", + "111": "dyall/dyall-aae4z.1.element.json", + "112": "dyall/dyall-aae4z.1.element.json", + "113": "dyall/dyall-aae4z.1.element.json", + "114": "dyall/dyall-aae4z.1.element.json", + "115": "dyall/dyall-aae4z.1.element.json", + "116": "dyall/dyall-aae4z.1.element.json", + "117": "dyall/dyall-aae4z.1.element.json", + "118": "dyall/dyall-aae4z.1.element.json" + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-aae4z.metadata.json b/basis_set_exchange/data/dyall-aae4z.metadata.json new file mode 100644 index 00000000..058781c3 --- /dev/null +++ b/basis_set_exchange/data/dyall-aae4z.metadata.json @@ -0,0 +1,14 @@ +{ + "molssi_bse_schema": { + "schema_type": "metadata", + "schema_version": "0.1" + }, + "names": [ + "dyall-aae4z" + ], + "tags": [], + "family": "dyall", + "description": "Dyall's augmented all-electron 4-zeta primitive basis set", + "role": "orbital", + "auxiliaries": {} +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-acv2z.1.table.json b/basis_set_exchange/data/dyall-acv2z.1.table.json new file mode 100644 index 00000000..3e2b09bd --- /dev/null +++ b/basis_set_exchange/data/dyall-acv2z.1.table.json @@ -0,0 +1,98 @@ +{ + "molssi_bse_schema": { + "schema_type": "table", + "schema_version": "0.1" + }, + "revision_description": "Data from https://zenodo.org/records/7574629", + "revision_date": "2024-11-17", + "elements": { + "1": "dyall/dyall-acv2z.1.element.json", + "2": "dyall/dyall-acv2z.1.element.json", + "3": "dyall/dyall-acv2z.1.element.json", + "4": "dyall/dyall-acv2z.1.element.json", + "5": "dyall/dyall-acv2z.1.element.json", + "6": "dyall/dyall-acv2z.1.element.json", + "7": "dyall/dyall-acv2z.1.element.json", + "8": "dyall/dyall-acv2z.1.element.json", + "9": "dyall/dyall-acv2z.1.element.json", + "10": "dyall/dyall-acv2z.1.element.json", + "11": "dyall/dyall-acv2z.1.element.json", + "12": "dyall/dyall-acv2z.1.element.json", + "13": "dyall/dyall-acv2z.1.element.json", + "14": "dyall/dyall-acv2z.1.element.json", + "15": "dyall/dyall-acv2z.1.element.json", + "16": "dyall/dyall-acv2z.1.element.json", + "17": "dyall/dyall-acv2z.1.element.json", + "18": "dyall/dyall-acv2z.1.element.json", + "19": "dyall/dyall-acv2z.1.element.json", + "20": "dyall/dyall-acv2z.1.element.json", + "21": "dyall/dyall-acv2z.1.element.json", + "22": "dyall/dyall-acv2z.1.element.json", + "23": "dyall/dyall-acv2z.1.element.json", + "24": "dyall/dyall-acv2z.1.element.json", + "25": "dyall/dyall-acv2z.1.element.json", + "26": "dyall/dyall-acv2z.1.element.json", + "27": "dyall/dyall-acv2z.1.element.json", + "28": "dyall/dyall-acv2z.1.element.json", + "29": "dyall/dyall-acv2z.1.element.json", + "30": "dyall/dyall-acv2z.1.element.json", + "31": "dyall/dyall-acv2z.1.element.json", + "32": "dyall/dyall-acv2z.1.element.json", + "33": "dyall/dyall-acv2z.1.element.json", + "34": "dyall/dyall-acv2z.1.element.json", + "35": "dyall/dyall-acv2z.1.element.json", + "36": "dyall/dyall-acv2z.1.element.json", + "37": "dyall/dyall-acv2z.1.element.json", + "38": "dyall/dyall-acv2z.1.element.json", + "39": "dyall/dyall-acv2z.1.element.json", + "40": "dyall/dyall-acv2z.1.element.json", + "41": "dyall/dyall-acv2z.1.element.json", + "42": "dyall/dyall-acv2z.1.element.json", + "43": "dyall/dyall-acv2z.1.element.json", + "44": "dyall/dyall-acv2z.1.element.json", + "45": "dyall/dyall-acv2z.1.element.json", + "46": "dyall/dyall-acv2z.1.element.json", + "47": "dyall/dyall-acv2z.1.element.json", + "48": "dyall/dyall-acv2z.1.element.json", + "49": "dyall/dyall-acv2z.1.element.json", + "50": "dyall/dyall-acv2z.1.element.json", + "51": "dyall/dyall-acv2z.1.element.json", + "52": "dyall/dyall-acv2z.1.element.json", + "53": "dyall/dyall-acv2z.1.element.json", + "54": "dyall/dyall-acv2z.1.element.json", + "55": "dyall/dyall-acv2z.1.element.json", + "56": "dyall/dyall-acv2z.1.element.json", + "72": "dyall/dyall-acv2z.1.element.json", + "73": "dyall/dyall-acv2z.1.element.json", + "74": "dyall/dyall-acv2z.1.element.json", + "75": "dyall/dyall-acv2z.1.element.json", + "76": "dyall/dyall-acv2z.1.element.json", + "77": "dyall/dyall-acv2z.1.element.json", + "78": "dyall/dyall-acv2z.1.element.json", + "79": "dyall/dyall-acv2z.1.element.json", + "80": "dyall/dyall-acv2z.1.element.json", + "81": "dyall/dyall-acv2z.1.element.json", + "82": "dyall/dyall-acv2z.1.element.json", + "83": "dyall/dyall-acv2z.1.element.json", + "84": "dyall/dyall-acv2z.1.element.json", + "85": "dyall/dyall-acv2z.1.element.json", + "86": "dyall/dyall-acv2z.1.element.json", + "87": "dyall/dyall-acv2z.1.element.json", + "88": "dyall/dyall-acv2z.1.element.json", + "104": "dyall/dyall-acv2z.1.element.json", + "105": "dyall/dyall-acv2z.1.element.json", + "106": "dyall/dyall-acv2z.1.element.json", + "107": "dyall/dyall-acv2z.1.element.json", + "108": "dyall/dyall-acv2z.1.element.json", + "109": "dyall/dyall-acv2z.1.element.json", + "110": "dyall/dyall-acv2z.1.element.json", + "111": "dyall/dyall-acv2z.1.element.json", + "112": "dyall/dyall-acv2z.1.element.json", + "113": "dyall/dyall-acv2z.1.element.json", + "114": "dyall/dyall-acv2z.1.element.json", + "115": "dyall/dyall-acv2z.1.element.json", + "116": "dyall/dyall-acv2z.1.element.json", + "117": "dyall/dyall-acv2z.1.element.json", + "118": "dyall/dyall-acv2z.1.element.json" + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-acv2z.metadata.json b/basis_set_exchange/data/dyall-acv2z.metadata.json new file mode 100644 index 00000000..5726724c --- /dev/null +++ b/basis_set_exchange/data/dyall-acv2z.metadata.json @@ -0,0 +1,14 @@ +{ + "molssi_bse_schema": { + "schema_type": "metadata", + "schema_version": "0.1" + }, + "names": [ + "dyall-acv2z" + ], + "tags": [], + "family": "dyall", + "description": "Dyall's augmented core-valence 2-zeta primitive basis set", + "role": "orbital", + "auxiliaries": {} +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-acv3z.1.table.json b/basis_set_exchange/data/dyall-acv3z.1.table.json new file mode 100644 index 00000000..a6dc0140 --- /dev/null +++ b/basis_set_exchange/data/dyall-acv3z.1.table.json @@ -0,0 +1,98 @@ +{ + "molssi_bse_schema": { + "schema_type": "table", + "schema_version": "0.1" + }, + "revision_description": "Data from https://zenodo.org/records/7574629", + "revision_date": "2024-11-17", + "elements": { + "1": "dyall/dyall-acv3z.1.element.json", + "2": "dyall/dyall-acv3z.1.element.json", + "3": "dyall/dyall-acv3z.1.element.json", + "4": "dyall/dyall-acv3z.1.element.json", + "5": "dyall/dyall-acv3z.1.element.json", + "6": "dyall/dyall-acv3z.1.element.json", + "7": "dyall/dyall-acv3z.1.element.json", + "8": "dyall/dyall-acv3z.1.element.json", + "9": "dyall/dyall-acv3z.1.element.json", + "10": "dyall/dyall-acv3z.1.element.json", + "11": "dyall/dyall-acv3z.1.element.json", + "12": "dyall/dyall-acv3z.1.element.json", + "13": "dyall/dyall-acv3z.1.element.json", + "14": "dyall/dyall-acv3z.1.element.json", + "15": "dyall/dyall-acv3z.1.element.json", + "16": "dyall/dyall-acv3z.1.element.json", + "17": "dyall/dyall-acv3z.1.element.json", + "18": "dyall/dyall-acv3z.1.element.json", + "19": "dyall/dyall-acv3z.1.element.json", + "20": "dyall/dyall-acv3z.1.element.json", + "21": "dyall/dyall-acv3z.1.element.json", + "22": "dyall/dyall-acv3z.1.element.json", + "23": "dyall/dyall-acv3z.1.element.json", + "24": "dyall/dyall-acv3z.1.element.json", + "25": "dyall/dyall-acv3z.1.element.json", + "26": "dyall/dyall-acv3z.1.element.json", + "27": "dyall/dyall-acv3z.1.element.json", + "28": "dyall/dyall-acv3z.1.element.json", + "29": "dyall/dyall-acv3z.1.element.json", + "30": "dyall/dyall-acv3z.1.element.json", + "31": "dyall/dyall-acv3z.1.element.json", + "32": "dyall/dyall-acv3z.1.element.json", + "33": "dyall/dyall-acv3z.1.element.json", + "34": "dyall/dyall-acv3z.1.element.json", + "35": "dyall/dyall-acv3z.1.element.json", + "36": "dyall/dyall-acv3z.1.element.json", + "37": "dyall/dyall-acv3z.1.element.json", + "38": "dyall/dyall-acv3z.1.element.json", + "39": "dyall/dyall-acv3z.1.element.json", + "40": "dyall/dyall-acv3z.1.element.json", + "41": "dyall/dyall-acv3z.1.element.json", + "42": "dyall/dyall-acv3z.1.element.json", + "43": "dyall/dyall-acv3z.1.element.json", + "44": "dyall/dyall-acv3z.1.element.json", + "45": "dyall/dyall-acv3z.1.element.json", + "46": "dyall/dyall-acv3z.1.element.json", + "47": "dyall/dyall-acv3z.1.element.json", + "48": "dyall/dyall-acv3z.1.element.json", + "49": "dyall/dyall-acv3z.1.element.json", + "50": "dyall/dyall-acv3z.1.element.json", + "51": "dyall/dyall-acv3z.1.element.json", + "52": "dyall/dyall-acv3z.1.element.json", + "53": "dyall/dyall-acv3z.1.element.json", + "54": "dyall/dyall-acv3z.1.element.json", + "55": "dyall/dyall-acv3z.1.element.json", + "56": "dyall/dyall-acv3z.1.element.json", + "72": "dyall/dyall-acv3z.1.element.json", + "73": "dyall/dyall-acv3z.1.element.json", + "74": "dyall/dyall-acv3z.1.element.json", + "75": "dyall/dyall-acv3z.1.element.json", + "76": "dyall/dyall-acv3z.1.element.json", + "77": "dyall/dyall-acv3z.1.element.json", + "78": "dyall/dyall-acv3z.1.element.json", + "79": "dyall/dyall-acv3z.1.element.json", + "80": "dyall/dyall-acv3z.1.element.json", + "81": "dyall/dyall-acv3z.1.element.json", + "82": "dyall/dyall-acv3z.1.element.json", + "83": "dyall/dyall-acv3z.1.element.json", + "84": "dyall/dyall-acv3z.1.element.json", + "85": "dyall/dyall-acv3z.1.element.json", + "86": "dyall/dyall-acv3z.1.element.json", + "87": "dyall/dyall-acv3z.1.element.json", + "88": "dyall/dyall-acv3z.1.element.json", + "104": "dyall/dyall-acv3z.1.element.json", + "105": "dyall/dyall-acv3z.1.element.json", + "106": "dyall/dyall-acv3z.1.element.json", + "107": "dyall/dyall-acv3z.1.element.json", + "108": "dyall/dyall-acv3z.1.element.json", + "109": "dyall/dyall-acv3z.1.element.json", + "110": "dyall/dyall-acv3z.1.element.json", + "111": "dyall/dyall-acv3z.1.element.json", + "112": "dyall/dyall-acv3z.1.element.json", + "113": "dyall/dyall-acv3z.1.element.json", + "114": "dyall/dyall-acv3z.1.element.json", + "115": "dyall/dyall-acv3z.1.element.json", + "116": "dyall/dyall-acv3z.1.element.json", + "117": "dyall/dyall-acv3z.1.element.json", + "118": "dyall/dyall-acv3z.1.element.json" + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-acv3z.metadata.json b/basis_set_exchange/data/dyall-acv3z.metadata.json new file mode 100644 index 00000000..90dc358c --- /dev/null +++ b/basis_set_exchange/data/dyall-acv3z.metadata.json @@ -0,0 +1,14 @@ +{ + "molssi_bse_schema": { + "schema_type": "metadata", + "schema_version": "0.1" + }, + "names": [ + "dyall-acv3z" + ], + "tags": [], + "family": "dyall", + "description": "Dyall's augmented core-valence 3-zeta primitive basis set", + "role": "orbital", + "auxiliaries": {} +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-acv4z.1.table.json b/basis_set_exchange/data/dyall-acv4z.1.table.json new file mode 100644 index 00000000..967873d0 --- /dev/null +++ b/basis_set_exchange/data/dyall-acv4z.1.table.json @@ -0,0 +1,98 @@ +{ + "molssi_bse_schema": { + "schema_type": "table", + "schema_version": "0.1" + }, + "revision_description": "Data from https://zenodo.org/records/7574629", + "revision_date": "2024-11-17", + "elements": { + "1": "dyall/dyall-acv4z.1.element.json", + "2": "dyall/dyall-acv4z.1.element.json", + "3": "dyall/dyall-acv4z.1.element.json", + "4": "dyall/dyall-acv4z.1.element.json", + "5": "dyall/dyall-acv4z.1.element.json", + "6": "dyall/dyall-acv4z.1.element.json", + "7": "dyall/dyall-acv4z.1.element.json", + "8": "dyall/dyall-acv4z.1.element.json", + "9": "dyall/dyall-acv4z.1.element.json", + "10": "dyall/dyall-acv4z.1.element.json", + "11": "dyall/dyall-acv4z.1.element.json", + "12": "dyall/dyall-acv4z.1.element.json", + "13": "dyall/dyall-acv4z.1.element.json", + "14": "dyall/dyall-acv4z.1.element.json", + "15": "dyall/dyall-acv4z.1.element.json", + "16": "dyall/dyall-acv4z.1.element.json", + "17": "dyall/dyall-acv4z.1.element.json", + "18": "dyall/dyall-acv4z.1.element.json", + "19": "dyall/dyall-acv4z.1.element.json", + "20": "dyall/dyall-acv4z.1.element.json", + "21": "dyall/dyall-acv4z.1.element.json", + "22": "dyall/dyall-acv4z.1.element.json", + "23": "dyall/dyall-acv4z.1.element.json", + "24": "dyall/dyall-acv4z.1.element.json", + "25": "dyall/dyall-acv4z.1.element.json", + "26": "dyall/dyall-acv4z.1.element.json", + "27": "dyall/dyall-acv4z.1.element.json", + "28": "dyall/dyall-acv4z.1.element.json", + "29": "dyall/dyall-acv4z.1.element.json", + "30": "dyall/dyall-acv4z.1.element.json", + "31": "dyall/dyall-acv4z.1.element.json", + "32": "dyall/dyall-acv4z.1.element.json", + "33": "dyall/dyall-acv4z.1.element.json", + "34": "dyall/dyall-acv4z.1.element.json", + "35": "dyall/dyall-acv4z.1.element.json", + "36": "dyall/dyall-acv4z.1.element.json", + "37": "dyall/dyall-acv4z.1.element.json", + "38": "dyall/dyall-acv4z.1.element.json", + "39": "dyall/dyall-acv4z.1.element.json", + "40": "dyall/dyall-acv4z.1.element.json", + "41": "dyall/dyall-acv4z.1.element.json", + "42": "dyall/dyall-acv4z.1.element.json", + "43": "dyall/dyall-acv4z.1.element.json", + "44": "dyall/dyall-acv4z.1.element.json", + "45": "dyall/dyall-acv4z.1.element.json", + "46": "dyall/dyall-acv4z.1.element.json", + "47": "dyall/dyall-acv4z.1.element.json", + "48": "dyall/dyall-acv4z.1.element.json", + "49": "dyall/dyall-acv4z.1.element.json", + "50": "dyall/dyall-acv4z.1.element.json", + "51": "dyall/dyall-acv4z.1.element.json", + "52": "dyall/dyall-acv4z.1.element.json", + "53": "dyall/dyall-acv4z.1.element.json", + "54": "dyall/dyall-acv4z.1.element.json", + "55": "dyall/dyall-acv4z.1.element.json", + "56": "dyall/dyall-acv4z.1.element.json", + "72": "dyall/dyall-acv4z.1.element.json", + "73": "dyall/dyall-acv4z.1.element.json", + "74": "dyall/dyall-acv4z.1.element.json", + "75": "dyall/dyall-acv4z.1.element.json", + "76": "dyall/dyall-acv4z.1.element.json", + "77": "dyall/dyall-acv4z.1.element.json", + "78": "dyall/dyall-acv4z.1.element.json", + "79": "dyall/dyall-acv4z.1.element.json", + "80": "dyall/dyall-acv4z.1.element.json", + "81": "dyall/dyall-acv4z.1.element.json", + "82": "dyall/dyall-acv4z.1.element.json", + "83": "dyall/dyall-acv4z.1.element.json", + "84": "dyall/dyall-acv4z.1.element.json", + "85": "dyall/dyall-acv4z.1.element.json", + "86": "dyall/dyall-acv4z.1.element.json", + "87": "dyall/dyall-acv4z.1.element.json", + "88": "dyall/dyall-acv4z.1.element.json", + "104": "dyall/dyall-acv4z.1.element.json", + "105": "dyall/dyall-acv4z.1.element.json", + "106": "dyall/dyall-acv4z.1.element.json", + "107": "dyall/dyall-acv4z.1.element.json", + "108": "dyall/dyall-acv4z.1.element.json", + "109": "dyall/dyall-acv4z.1.element.json", + "110": "dyall/dyall-acv4z.1.element.json", + "111": "dyall/dyall-acv4z.1.element.json", + "112": "dyall/dyall-acv4z.1.element.json", + "113": "dyall/dyall-acv4z.1.element.json", + "114": "dyall/dyall-acv4z.1.element.json", + "115": "dyall/dyall-acv4z.1.element.json", + "116": "dyall/dyall-acv4z.1.element.json", + "117": "dyall/dyall-acv4z.1.element.json", + "118": "dyall/dyall-acv4z.1.element.json" + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-acv4z.metadata.json b/basis_set_exchange/data/dyall-acv4z.metadata.json new file mode 100644 index 00000000..a7bba38b --- /dev/null +++ b/basis_set_exchange/data/dyall-acv4z.metadata.json @@ -0,0 +1,14 @@ +{ + "molssi_bse_schema": { + "schema_type": "metadata", + "schema_version": "0.1" + }, + "names": [ + "dyall-acv4z" + ], + "tags": [], + "family": "dyall", + "description": "Dyall's augmented core-valence 4-zeta primitive basis set", + "role": "orbital", + "auxiliaries": {} +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-ae2z.1.table.json b/basis_set_exchange/data/dyall-ae2z.1.table.json new file mode 100644 index 00000000..b4445ebf --- /dev/null +++ b/basis_set_exchange/data/dyall-ae2z.1.table.json @@ -0,0 +1,128 @@ +{ + "molssi_bse_schema": { + "schema_type": "table", + "schema_version": "0.1" + }, + "revision_description": "Data from https://zenodo.org/records/7574629", + "revision_date": "2024-11-17", + "elements": { + "1": "dyall/dyall-ae2z.1.element.json", + "2": "dyall/dyall-ae2z.1.element.json", + "3": "dyall/dyall-ae2z.1.element.json", + "4": "dyall/dyall-ae2z.1.element.json", + "5": "dyall/dyall-ae2z.1.element.json", + "6": "dyall/dyall-ae2z.1.element.json", + "7": "dyall/dyall-ae2z.1.element.json", + "8": "dyall/dyall-ae2z.1.element.json", + "9": "dyall/dyall-ae2z.1.element.json", + "10": "dyall/dyall-ae2z.1.element.json", + "11": "dyall/dyall-ae2z.1.element.json", + "12": "dyall/dyall-ae2z.1.element.json", + "13": "dyall/dyall-ae2z.1.element.json", + "14": "dyall/dyall-ae2z.1.element.json", + "15": "dyall/dyall-ae2z.1.element.json", + "16": "dyall/dyall-ae2z.1.element.json", + "17": "dyall/dyall-ae2z.1.element.json", + "18": "dyall/dyall-ae2z.1.element.json", + "19": "dyall/dyall-ae2z.1.element.json", + "20": "dyall/dyall-ae2z.1.element.json", + "21": "dyall/dyall-ae2z.1.element.json", + "22": "dyall/dyall-ae2z.1.element.json", + "23": "dyall/dyall-ae2z.1.element.json", + "24": "dyall/dyall-ae2z.1.element.json", + "25": "dyall/dyall-ae2z.1.element.json", + "26": "dyall/dyall-ae2z.1.element.json", + "27": "dyall/dyall-ae2z.1.element.json", + "28": "dyall/dyall-ae2z.1.element.json", + "29": "dyall/dyall-ae2z.1.element.json", + "30": "dyall/dyall-ae2z.1.element.json", + "31": "dyall/dyall-ae2z.1.element.json", + "32": "dyall/dyall-ae2z.1.element.json", + "33": "dyall/dyall-ae2z.1.element.json", + "34": "dyall/dyall-ae2z.1.element.json", + "35": "dyall/dyall-ae2z.1.element.json", + "36": "dyall/dyall-ae2z.1.element.json", + "37": "dyall/dyall-ae2z.1.element.json", + "38": "dyall/dyall-ae2z.1.element.json", + "39": "dyall/dyall-ae2z.1.element.json", + "40": "dyall/dyall-ae2z.1.element.json", + "41": "dyall/dyall-ae2z.1.element.json", + "42": "dyall/dyall-ae2z.1.element.json", + "43": "dyall/dyall-ae2z.1.element.json", + "44": "dyall/dyall-ae2z.1.element.json", + "45": "dyall/dyall-ae2z.1.element.json", + "46": "dyall/dyall-ae2z.1.element.json", + "47": "dyall/dyall-ae2z.1.element.json", + "48": "dyall/dyall-ae2z.1.element.json", + "49": "dyall/dyall-ae2z.1.element.json", + "50": "dyall/dyall-ae2z.1.element.json", + "51": "dyall/dyall-ae2z.1.element.json", + "52": "dyall/dyall-ae2z.1.element.json", + "53": "dyall/dyall-ae2z.1.element.json", + "54": "dyall/dyall-ae2z.1.element.json", + "55": "dyall/dyall-ae2z.1.element.json", + "56": "dyall/dyall-ae2z.1.element.json", + "57": "dyall/dyall-ae2z.1.element.json", + "58": "dyall/dyall-ae2z.1.element.json", + "59": "dyall/dyall-ae2z.1.element.json", + "60": "dyall/dyall-ae2z.1.element.json", + "61": "dyall/dyall-ae2z.1.element.json", + "62": "dyall/dyall-ae2z.1.element.json", + "63": "dyall/dyall-ae2z.1.element.json", + "64": "dyall/dyall-ae2z.1.element.json", + "65": "dyall/dyall-ae2z.1.element.json", + "66": "dyall/dyall-ae2z.1.element.json", + "67": "dyall/dyall-ae2z.1.element.json", + "68": "dyall/dyall-ae2z.1.element.json", + "69": "dyall/dyall-ae2z.1.element.json", + "70": "dyall/dyall-ae2z.1.element.json", + "71": "dyall/dyall-ae2z.1.element.json", + "72": "dyall/dyall-ae2z.1.element.json", + "73": "dyall/dyall-ae2z.1.element.json", + "74": "dyall/dyall-ae2z.1.element.json", + "75": "dyall/dyall-ae2z.1.element.json", + "76": "dyall/dyall-ae2z.1.element.json", + "77": "dyall/dyall-ae2z.1.element.json", + "78": "dyall/dyall-ae2z.1.element.json", + "79": "dyall/dyall-ae2z.1.element.json", + "80": "dyall/dyall-ae2z.1.element.json", + "81": "dyall/dyall-ae2z.1.element.json", + "82": "dyall/dyall-ae2z.1.element.json", + "83": "dyall/dyall-ae2z.1.element.json", + "84": "dyall/dyall-ae2z.1.element.json", + "85": "dyall/dyall-ae2z.1.element.json", + "86": "dyall/dyall-ae2z.1.element.json", + "87": "dyall/dyall-ae2z.1.element.json", + "88": "dyall/dyall-ae2z.1.element.json", + "89": "dyall/dyall-ae2z.1.element.json", + "90": "dyall/dyall-ae2z.1.element.json", + "91": "dyall/dyall-ae2z.1.element.json", + "92": "dyall/dyall-ae2z.1.element.json", + "93": "dyall/dyall-ae2z.1.element.json", + "94": "dyall/dyall-ae2z.1.element.json", + "95": "dyall/dyall-ae2z.1.element.json", + "96": "dyall/dyall-ae2z.1.element.json", + "97": "dyall/dyall-ae2z.1.element.json", + "98": "dyall/dyall-ae2z.1.element.json", + "99": "dyall/dyall-ae2z.1.element.json", + "100": "dyall/dyall-ae2z.1.element.json", + "101": "dyall/dyall-ae2z.1.element.json", + "102": "dyall/dyall-ae2z.1.element.json", + "103": "dyall/dyall-ae2z.1.element.json", + "104": "dyall/dyall-ae2z.1.element.json", + "105": "dyall/dyall-ae2z.1.element.json", + "106": "dyall/dyall-ae2z.1.element.json", + "107": "dyall/dyall-ae2z.1.element.json", + "108": "dyall/dyall-ae2z.1.element.json", + "109": "dyall/dyall-ae2z.1.element.json", + "110": "dyall/dyall-ae2z.1.element.json", + "111": "dyall/dyall-ae2z.1.element.json", + "112": "dyall/dyall-ae2z.1.element.json", + "113": "dyall/dyall-ae2z.1.element.json", + "114": "dyall/dyall-ae2z.1.element.json", + "115": "dyall/dyall-ae2z.1.element.json", + "116": "dyall/dyall-ae2z.1.element.json", + "117": "dyall/dyall-ae2z.1.element.json", + "118": "dyall/dyall-ae2z.1.element.json" + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-ae2z.metadata.json b/basis_set_exchange/data/dyall-ae2z.metadata.json new file mode 100644 index 00000000..f4b0293e --- /dev/null +++ b/basis_set_exchange/data/dyall-ae2z.metadata.json @@ -0,0 +1,14 @@ +{ + "molssi_bse_schema": { + "schema_type": "metadata", + "schema_version": "0.1" + }, + "names": [ + "dyall-ae2z" + ], + "tags": [], + "family": "dyall", + "description": "Dyall's all-electron 2-zeta primitive basis set", + "role": "orbital", + "auxiliaries": {} +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-ae3z.1.table.json b/basis_set_exchange/data/dyall-ae3z.1.table.json new file mode 100644 index 00000000..77256696 --- /dev/null +++ b/basis_set_exchange/data/dyall-ae3z.1.table.json @@ -0,0 +1,128 @@ +{ + "molssi_bse_schema": { + "schema_type": "table", + "schema_version": "0.1" + }, + "revision_description": "Data from https://zenodo.org/records/7574629", + "revision_date": "2024-11-17", + "elements": { + "1": "dyall/dyall-ae3z.1.element.json", + "2": "dyall/dyall-ae3z.1.element.json", + "3": "dyall/dyall-ae3z.1.element.json", + "4": "dyall/dyall-ae3z.1.element.json", + "5": "dyall/dyall-ae3z.1.element.json", + "6": "dyall/dyall-ae3z.1.element.json", + "7": "dyall/dyall-ae3z.1.element.json", + "8": "dyall/dyall-ae3z.1.element.json", + "9": "dyall/dyall-ae3z.1.element.json", + "10": "dyall/dyall-ae3z.1.element.json", + "11": "dyall/dyall-ae3z.1.element.json", + "12": "dyall/dyall-ae3z.1.element.json", + "13": "dyall/dyall-ae3z.1.element.json", + "14": "dyall/dyall-ae3z.1.element.json", + "15": "dyall/dyall-ae3z.1.element.json", + "16": "dyall/dyall-ae3z.1.element.json", + "17": "dyall/dyall-ae3z.1.element.json", + "18": "dyall/dyall-ae3z.1.element.json", + "19": "dyall/dyall-ae3z.1.element.json", + "20": "dyall/dyall-ae3z.1.element.json", + "21": "dyall/dyall-ae3z.1.element.json", + "22": "dyall/dyall-ae3z.1.element.json", + "23": "dyall/dyall-ae3z.1.element.json", + "24": "dyall/dyall-ae3z.1.element.json", + "25": "dyall/dyall-ae3z.1.element.json", + "26": "dyall/dyall-ae3z.1.element.json", + "27": "dyall/dyall-ae3z.1.element.json", + "28": "dyall/dyall-ae3z.1.element.json", + "29": "dyall/dyall-ae3z.1.element.json", + "30": "dyall/dyall-ae3z.1.element.json", + "31": "dyall/dyall-ae3z.1.element.json", + "32": "dyall/dyall-ae3z.1.element.json", + "33": "dyall/dyall-ae3z.1.element.json", + "34": "dyall/dyall-ae3z.1.element.json", + "35": "dyall/dyall-ae3z.1.element.json", + "36": "dyall/dyall-ae3z.1.element.json", + "37": "dyall/dyall-ae3z.1.element.json", + "38": "dyall/dyall-ae3z.1.element.json", + "39": "dyall/dyall-ae3z.1.element.json", + "40": "dyall/dyall-ae3z.1.element.json", + "41": "dyall/dyall-ae3z.1.element.json", + "42": "dyall/dyall-ae3z.1.element.json", + "43": "dyall/dyall-ae3z.1.element.json", + "44": "dyall/dyall-ae3z.1.element.json", + "45": "dyall/dyall-ae3z.1.element.json", + "46": "dyall/dyall-ae3z.1.element.json", + "47": "dyall/dyall-ae3z.1.element.json", + "48": "dyall/dyall-ae3z.1.element.json", + "49": "dyall/dyall-ae3z.1.element.json", + "50": "dyall/dyall-ae3z.1.element.json", + "51": "dyall/dyall-ae3z.1.element.json", + "52": "dyall/dyall-ae3z.1.element.json", + "53": "dyall/dyall-ae3z.1.element.json", + "54": "dyall/dyall-ae3z.1.element.json", + "55": "dyall/dyall-ae3z.1.element.json", + "56": "dyall/dyall-ae3z.1.element.json", + "57": "dyall/dyall-ae3z.1.element.json", + "58": "dyall/dyall-ae3z.1.element.json", + "59": "dyall/dyall-ae3z.1.element.json", + "60": "dyall/dyall-ae3z.1.element.json", + "61": "dyall/dyall-ae3z.1.element.json", + "62": "dyall/dyall-ae3z.1.element.json", + "63": "dyall/dyall-ae3z.1.element.json", + "64": "dyall/dyall-ae3z.1.element.json", + "65": "dyall/dyall-ae3z.1.element.json", + "66": "dyall/dyall-ae3z.1.element.json", + "67": "dyall/dyall-ae3z.1.element.json", + "68": "dyall/dyall-ae3z.1.element.json", + "69": "dyall/dyall-ae3z.1.element.json", + "70": "dyall/dyall-ae3z.1.element.json", + "71": "dyall/dyall-ae3z.1.element.json", + "72": "dyall/dyall-ae3z.1.element.json", + "73": "dyall/dyall-ae3z.1.element.json", + "74": "dyall/dyall-ae3z.1.element.json", + "75": "dyall/dyall-ae3z.1.element.json", + "76": "dyall/dyall-ae3z.1.element.json", + "77": "dyall/dyall-ae3z.1.element.json", + "78": "dyall/dyall-ae3z.1.element.json", + "79": "dyall/dyall-ae3z.1.element.json", + "80": "dyall/dyall-ae3z.1.element.json", + "81": "dyall/dyall-ae3z.1.element.json", + "82": "dyall/dyall-ae3z.1.element.json", + "83": "dyall/dyall-ae3z.1.element.json", + "84": "dyall/dyall-ae3z.1.element.json", + "85": "dyall/dyall-ae3z.1.element.json", + "86": "dyall/dyall-ae3z.1.element.json", + "87": "dyall/dyall-ae3z.1.element.json", + "88": "dyall/dyall-ae3z.1.element.json", + "89": "dyall/dyall-ae3z.1.element.json", + "90": "dyall/dyall-ae3z.1.element.json", + "91": "dyall/dyall-ae3z.1.element.json", + "92": "dyall/dyall-ae3z.1.element.json", + "93": "dyall/dyall-ae3z.1.element.json", + "94": "dyall/dyall-ae3z.1.element.json", + "95": "dyall/dyall-ae3z.1.element.json", + "96": "dyall/dyall-ae3z.1.element.json", + "97": "dyall/dyall-ae3z.1.element.json", + "98": "dyall/dyall-ae3z.1.element.json", + "99": "dyall/dyall-ae3z.1.element.json", + "100": "dyall/dyall-ae3z.1.element.json", + "101": "dyall/dyall-ae3z.1.element.json", + "102": "dyall/dyall-ae3z.1.element.json", + "103": "dyall/dyall-ae3z.1.element.json", + "104": "dyall/dyall-ae3z.1.element.json", + "105": "dyall/dyall-ae3z.1.element.json", + "106": "dyall/dyall-ae3z.1.element.json", + "107": "dyall/dyall-ae3z.1.element.json", + "108": "dyall/dyall-ae3z.1.element.json", + "109": "dyall/dyall-ae3z.1.element.json", + "110": "dyall/dyall-ae3z.1.element.json", + "111": "dyall/dyall-ae3z.1.element.json", + "112": "dyall/dyall-ae3z.1.element.json", + "113": "dyall/dyall-ae3z.1.element.json", + "114": "dyall/dyall-ae3z.1.element.json", + "115": "dyall/dyall-ae3z.1.element.json", + "116": "dyall/dyall-ae3z.1.element.json", + "117": "dyall/dyall-ae3z.1.element.json", + "118": "dyall/dyall-ae3z.1.element.json" + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-ae3z.metadata.json b/basis_set_exchange/data/dyall-ae3z.metadata.json new file mode 100644 index 00000000..6375431f --- /dev/null +++ b/basis_set_exchange/data/dyall-ae3z.metadata.json @@ -0,0 +1,14 @@ +{ + "molssi_bse_schema": { + "schema_type": "metadata", + "schema_version": "0.1" + }, + "names": [ + "dyall-ae3z" + ], + "tags": [], + "family": "dyall", + "description": "Dyall's all-electron 3-zeta primitive basis set", + "role": "orbital", + "auxiliaries": {} +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-ae4z.1.table.json b/basis_set_exchange/data/dyall-ae4z.1.table.json new file mode 100644 index 00000000..9003e9c5 --- /dev/null +++ b/basis_set_exchange/data/dyall-ae4z.1.table.json @@ -0,0 +1,128 @@ +{ + "molssi_bse_schema": { + "schema_type": "table", + "schema_version": "0.1" + }, + "revision_description": "Data from https://zenodo.org/records/7574629", + "revision_date": "2024-11-17", + "elements": { + "1": "dyall/dyall-ae4z.1.element.json", + "2": "dyall/dyall-ae4z.1.element.json", + "3": "dyall/dyall-ae4z.1.element.json", + "4": "dyall/dyall-ae4z.1.element.json", + "5": "dyall/dyall-ae4z.1.element.json", + "6": "dyall/dyall-ae4z.1.element.json", + "7": "dyall/dyall-ae4z.1.element.json", + "8": "dyall/dyall-ae4z.1.element.json", + "9": "dyall/dyall-ae4z.1.element.json", + "10": "dyall/dyall-ae4z.1.element.json", + "11": "dyall/dyall-ae4z.1.element.json", + "12": "dyall/dyall-ae4z.1.element.json", + "13": "dyall/dyall-ae4z.1.element.json", + "14": "dyall/dyall-ae4z.1.element.json", + "15": "dyall/dyall-ae4z.1.element.json", + "16": "dyall/dyall-ae4z.1.element.json", + "17": "dyall/dyall-ae4z.1.element.json", + "18": "dyall/dyall-ae4z.1.element.json", + "19": "dyall/dyall-ae4z.1.element.json", + "20": "dyall/dyall-ae4z.1.element.json", + "21": "dyall/dyall-ae4z.1.element.json", + "22": "dyall/dyall-ae4z.1.element.json", + "23": "dyall/dyall-ae4z.1.element.json", + "24": "dyall/dyall-ae4z.1.element.json", + "25": "dyall/dyall-ae4z.1.element.json", + "26": "dyall/dyall-ae4z.1.element.json", + "27": "dyall/dyall-ae4z.1.element.json", + "28": "dyall/dyall-ae4z.1.element.json", + "29": "dyall/dyall-ae4z.1.element.json", + "30": "dyall/dyall-ae4z.1.element.json", + "31": "dyall/dyall-ae4z.1.element.json", + "32": "dyall/dyall-ae4z.1.element.json", + "33": "dyall/dyall-ae4z.1.element.json", + "34": "dyall/dyall-ae4z.1.element.json", + "35": "dyall/dyall-ae4z.1.element.json", + "36": "dyall/dyall-ae4z.1.element.json", + "37": "dyall/dyall-ae4z.1.element.json", + "38": "dyall/dyall-ae4z.1.element.json", + "39": "dyall/dyall-ae4z.1.element.json", + "40": "dyall/dyall-ae4z.1.element.json", + "41": "dyall/dyall-ae4z.1.element.json", + "42": "dyall/dyall-ae4z.1.element.json", + "43": "dyall/dyall-ae4z.1.element.json", + "44": "dyall/dyall-ae4z.1.element.json", + "45": "dyall/dyall-ae4z.1.element.json", + "46": "dyall/dyall-ae4z.1.element.json", + "47": "dyall/dyall-ae4z.1.element.json", + "48": "dyall/dyall-ae4z.1.element.json", + "49": "dyall/dyall-ae4z.1.element.json", + "50": "dyall/dyall-ae4z.1.element.json", + "51": "dyall/dyall-ae4z.1.element.json", + "52": "dyall/dyall-ae4z.1.element.json", + "53": "dyall/dyall-ae4z.1.element.json", + "54": "dyall/dyall-ae4z.1.element.json", + "55": "dyall/dyall-ae4z.1.element.json", + "56": "dyall/dyall-ae4z.1.element.json", + "57": "dyall/dyall-ae4z.1.element.json", + "58": "dyall/dyall-ae4z.1.element.json", + "59": "dyall/dyall-ae4z.1.element.json", + "60": "dyall/dyall-ae4z.1.element.json", + "61": "dyall/dyall-ae4z.1.element.json", + "62": "dyall/dyall-ae4z.1.element.json", + "63": "dyall/dyall-ae4z.1.element.json", + "64": "dyall/dyall-ae4z.1.element.json", + "65": "dyall/dyall-ae4z.1.element.json", + "66": "dyall/dyall-ae4z.1.element.json", + "67": "dyall/dyall-ae4z.1.element.json", + "68": "dyall/dyall-ae4z.1.element.json", + "69": "dyall/dyall-ae4z.1.element.json", + "70": "dyall/dyall-ae4z.1.element.json", + "71": "dyall/dyall-ae4z.1.element.json", + "72": "dyall/dyall-ae4z.1.element.json", + "73": "dyall/dyall-ae4z.1.element.json", + "74": "dyall/dyall-ae4z.1.element.json", + "75": "dyall/dyall-ae4z.1.element.json", + "76": "dyall/dyall-ae4z.1.element.json", + "77": "dyall/dyall-ae4z.1.element.json", + "78": "dyall/dyall-ae4z.1.element.json", + "79": "dyall/dyall-ae4z.1.element.json", + "80": "dyall/dyall-ae4z.1.element.json", + "81": "dyall/dyall-ae4z.1.element.json", + "82": "dyall/dyall-ae4z.1.element.json", + "83": "dyall/dyall-ae4z.1.element.json", + "84": "dyall/dyall-ae4z.1.element.json", + "85": "dyall/dyall-ae4z.1.element.json", + "86": "dyall/dyall-ae4z.1.element.json", + "87": "dyall/dyall-ae4z.1.element.json", + "88": "dyall/dyall-ae4z.1.element.json", + "89": "dyall/dyall-ae4z.1.element.json", + "90": "dyall/dyall-ae4z.1.element.json", + "91": "dyall/dyall-ae4z.1.element.json", + "92": "dyall/dyall-ae4z.1.element.json", + "93": "dyall/dyall-ae4z.1.element.json", + "94": "dyall/dyall-ae4z.1.element.json", + "95": "dyall/dyall-ae4z.1.element.json", + "96": "dyall/dyall-ae4z.1.element.json", + "97": "dyall/dyall-ae4z.1.element.json", + "98": "dyall/dyall-ae4z.1.element.json", + "99": "dyall/dyall-ae4z.1.element.json", + "100": "dyall/dyall-ae4z.1.element.json", + "101": "dyall/dyall-ae4z.1.element.json", + "102": "dyall/dyall-ae4z.1.element.json", + "103": "dyall/dyall-ae4z.1.element.json", + "104": "dyall/dyall-ae4z.1.element.json", + "105": "dyall/dyall-ae4z.1.element.json", + "106": "dyall/dyall-ae4z.1.element.json", + "107": "dyall/dyall-ae4z.1.element.json", + "108": "dyall/dyall-ae4z.1.element.json", + "109": "dyall/dyall-ae4z.1.element.json", + "110": "dyall/dyall-ae4z.1.element.json", + "111": "dyall/dyall-ae4z.1.element.json", + "112": "dyall/dyall-ae4z.1.element.json", + "113": "dyall/dyall-ae4z.1.element.json", + "114": "dyall/dyall-ae4z.1.element.json", + "115": "dyall/dyall-ae4z.1.element.json", + "116": "dyall/dyall-ae4z.1.element.json", + "117": "dyall/dyall-ae4z.1.element.json", + "118": "dyall/dyall-ae4z.1.element.json" + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-ae4z.metadata.json b/basis_set_exchange/data/dyall-ae4z.metadata.json new file mode 100644 index 00000000..a8f9075c --- /dev/null +++ b/basis_set_exchange/data/dyall-ae4z.metadata.json @@ -0,0 +1,14 @@ +{ + "molssi_bse_schema": { + "schema_type": "metadata", + "schema_version": "0.1" + }, + "names": [ + "dyall-ae4z" + ], + "tags": [], + "family": "dyall", + "description": "Dyall's all-electron 4-zeta primitive basis set", + "role": "orbital", + "auxiliaries": {} +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-av2z.1.table.json b/basis_set_exchange/data/dyall-av2z.1.table.json new file mode 100644 index 00000000..a49db428 --- /dev/null +++ b/basis_set_exchange/data/dyall-av2z.1.table.json @@ -0,0 +1,98 @@ +{ + "molssi_bse_schema": { + "schema_type": "table", + "schema_version": "0.1" + }, + "revision_description": "Data from https://zenodo.org/records/7574629", + "revision_date": "2024-11-17", + "elements": { + "1": "dyall/dyall-av2z.1.element.json", + "2": "dyall/dyall-av2z.1.element.json", + "3": "dyall/dyall-av2z.1.element.json", + "4": "dyall/dyall-av2z.1.element.json", + "5": "dyall/dyall-av2z.1.element.json", + "6": "dyall/dyall-av2z.1.element.json", + "7": "dyall/dyall-av2z.1.element.json", + "8": "dyall/dyall-av2z.1.element.json", + "9": "dyall/dyall-av2z.1.element.json", + "10": "dyall/dyall-av2z.1.element.json", + "11": "dyall/dyall-av2z.1.element.json", + "12": "dyall/dyall-av2z.1.element.json", + "13": "dyall/dyall-av2z.1.element.json", + "14": "dyall/dyall-av2z.1.element.json", + "15": "dyall/dyall-av2z.1.element.json", + "16": "dyall/dyall-av2z.1.element.json", + "17": "dyall/dyall-av2z.1.element.json", + "18": "dyall/dyall-av2z.1.element.json", + "19": "dyall/dyall-av2z.1.element.json", + "20": "dyall/dyall-av2z.1.element.json", + "21": "dyall/dyall-av2z.1.element.json", + "22": "dyall/dyall-av2z.1.element.json", + "23": "dyall/dyall-av2z.1.element.json", + "24": "dyall/dyall-av2z.1.element.json", + "25": "dyall/dyall-av2z.1.element.json", + "26": "dyall/dyall-av2z.1.element.json", + "27": "dyall/dyall-av2z.1.element.json", + "28": "dyall/dyall-av2z.1.element.json", + "29": "dyall/dyall-av2z.1.element.json", + "30": "dyall/dyall-av2z.1.element.json", + "31": "dyall/dyall-av2z.1.element.json", + "32": "dyall/dyall-av2z.1.element.json", + "33": "dyall/dyall-av2z.1.element.json", + "34": "dyall/dyall-av2z.1.element.json", + "35": "dyall/dyall-av2z.1.element.json", + "36": "dyall/dyall-av2z.1.element.json", + "37": "dyall/dyall-av2z.1.element.json", + "38": "dyall/dyall-av2z.1.element.json", + "39": "dyall/dyall-av2z.1.element.json", + "40": "dyall/dyall-av2z.1.element.json", + "41": "dyall/dyall-av2z.1.element.json", + "42": "dyall/dyall-av2z.1.element.json", + "43": "dyall/dyall-av2z.1.element.json", + "44": "dyall/dyall-av2z.1.element.json", + "45": "dyall/dyall-av2z.1.element.json", + "46": "dyall/dyall-av2z.1.element.json", + "47": "dyall/dyall-av2z.1.element.json", + "48": "dyall/dyall-av2z.1.element.json", + "49": "dyall/dyall-av2z.1.element.json", + "50": "dyall/dyall-av2z.1.element.json", + "51": "dyall/dyall-av2z.1.element.json", + "52": "dyall/dyall-av2z.1.element.json", + "53": "dyall/dyall-av2z.1.element.json", + "54": "dyall/dyall-av2z.1.element.json", + "55": "dyall/dyall-av2z.1.element.json", + "56": "dyall/dyall-av2z.1.element.json", + "72": "dyall/dyall-av2z.1.element.json", + "73": "dyall/dyall-av2z.1.element.json", + "74": "dyall/dyall-av2z.1.element.json", + "75": "dyall/dyall-av2z.1.element.json", + "76": "dyall/dyall-av2z.1.element.json", + "77": "dyall/dyall-av2z.1.element.json", + "78": "dyall/dyall-av2z.1.element.json", + "79": "dyall/dyall-av2z.1.element.json", + "80": "dyall/dyall-av2z.1.element.json", + "81": "dyall/dyall-av2z.1.element.json", + "82": "dyall/dyall-av2z.1.element.json", + "83": "dyall/dyall-av2z.1.element.json", + "84": "dyall/dyall-av2z.1.element.json", + "85": "dyall/dyall-av2z.1.element.json", + "86": "dyall/dyall-av2z.1.element.json", + "87": "dyall/dyall-av2z.1.element.json", + "88": "dyall/dyall-av2z.1.element.json", + "104": "dyall/dyall-av2z.1.element.json", + "105": "dyall/dyall-av2z.1.element.json", + "106": "dyall/dyall-av2z.1.element.json", + "107": "dyall/dyall-av2z.1.element.json", + "108": "dyall/dyall-av2z.1.element.json", + "109": "dyall/dyall-av2z.1.element.json", + "110": "dyall/dyall-av2z.1.element.json", + "111": "dyall/dyall-av2z.1.element.json", + "112": "dyall/dyall-av2z.1.element.json", + "113": "dyall/dyall-av2z.1.element.json", + "114": "dyall/dyall-av2z.1.element.json", + "115": "dyall/dyall-av2z.1.element.json", + "116": "dyall/dyall-av2z.1.element.json", + "117": "dyall/dyall-av2z.1.element.json", + "118": "dyall/dyall-av2z.1.element.json" + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-av2z.metadata.json b/basis_set_exchange/data/dyall-av2z.metadata.json new file mode 100644 index 00000000..89c3cbcf --- /dev/null +++ b/basis_set_exchange/data/dyall-av2z.metadata.json @@ -0,0 +1,14 @@ +{ + "molssi_bse_schema": { + "schema_type": "metadata", + "schema_version": "0.1" + }, + "names": [ + "dyall-av2z" + ], + "tags": [], + "family": "dyall", + "description": "Dyall's augmented valence 2-zeta primitive basis set", + "role": "orbital", + "auxiliaries": {} +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-av3z.1.table.json b/basis_set_exchange/data/dyall-av3z.1.table.json new file mode 100644 index 00000000..8a9470f2 --- /dev/null +++ b/basis_set_exchange/data/dyall-av3z.1.table.json @@ -0,0 +1,98 @@ +{ + "molssi_bse_schema": { + "schema_type": "table", + "schema_version": "0.1" + }, + "revision_description": "Data from https://zenodo.org/records/7574629", + "revision_date": "2024-11-17", + "elements": { + "1": "dyall/dyall-av3z.1.element.json", + "2": "dyall/dyall-av3z.1.element.json", + "3": "dyall/dyall-av3z.1.element.json", + "4": "dyall/dyall-av3z.1.element.json", + "5": "dyall/dyall-av3z.1.element.json", + "6": "dyall/dyall-av3z.1.element.json", + "7": "dyall/dyall-av3z.1.element.json", + "8": "dyall/dyall-av3z.1.element.json", + "9": "dyall/dyall-av3z.1.element.json", + "10": "dyall/dyall-av3z.1.element.json", + "11": "dyall/dyall-av3z.1.element.json", + "12": "dyall/dyall-av3z.1.element.json", + "13": "dyall/dyall-av3z.1.element.json", + "14": "dyall/dyall-av3z.1.element.json", + "15": "dyall/dyall-av3z.1.element.json", + "16": "dyall/dyall-av3z.1.element.json", + "17": "dyall/dyall-av3z.1.element.json", + "18": "dyall/dyall-av3z.1.element.json", + "19": "dyall/dyall-av3z.1.element.json", + "20": "dyall/dyall-av3z.1.element.json", + "21": "dyall/dyall-av3z.1.element.json", + "22": "dyall/dyall-av3z.1.element.json", + "23": "dyall/dyall-av3z.1.element.json", + "24": "dyall/dyall-av3z.1.element.json", + "25": "dyall/dyall-av3z.1.element.json", + "26": "dyall/dyall-av3z.1.element.json", + "27": "dyall/dyall-av3z.1.element.json", + "28": "dyall/dyall-av3z.1.element.json", + "29": "dyall/dyall-av3z.1.element.json", + "30": "dyall/dyall-av3z.1.element.json", + "31": "dyall/dyall-av3z.1.element.json", + "32": "dyall/dyall-av3z.1.element.json", + "33": "dyall/dyall-av3z.1.element.json", + "34": "dyall/dyall-av3z.1.element.json", + "35": "dyall/dyall-av3z.1.element.json", + "36": "dyall/dyall-av3z.1.element.json", + "37": "dyall/dyall-av3z.1.element.json", + "38": "dyall/dyall-av3z.1.element.json", + "39": "dyall/dyall-av3z.1.element.json", + "40": "dyall/dyall-av3z.1.element.json", + "41": "dyall/dyall-av3z.1.element.json", + "42": "dyall/dyall-av3z.1.element.json", + "43": "dyall/dyall-av3z.1.element.json", + "44": "dyall/dyall-av3z.1.element.json", + "45": "dyall/dyall-av3z.1.element.json", + "46": "dyall/dyall-av3z.1.element.json", + "47": "dyall/dyall-av3z.1.element.json", + "48": "dyall/dyall-av3z.1.element.json", + "49": "dyall/dyall-av3z.1.element.json", + "50": "dyall/dyall-av3z.1.element.json", + "51": "dyall/dyall-av3z.1.element.json", + "52": "dyall/dyall-av3z.1.element.json", + "53": "dyall/dyall-av3z.1.element.json", + "54": "dyall/dyall-av3z.1.element.json", + "55": "dyall/dyall-av3z.1.element.json", + "56": "dyall/dyall-av3z.1.element.json", + "72": "dyall/dyall-av3z.1.element.json", + "73": "dyall/dyall-av3z.1.element.json", + "74": "dyall/dyall-av3z.1.element.json", + "75": "dyall/dyall-av3z.1.element.json", + "76": "dyall/dyall-av3z.1.element.json", + "77": "dyall/dyall-av3z.1.element.json", + "78": "dyall/dyall-av3z.1.element.json", + "79": "dyall/dyall-av3z.1.element.json", + "80": "dyall/dyall-av3z.1.element.json", + "81": "dyall/dyall-av3z.1.element.json", + "82": "dyall/dyall-av3z.1.element.json", + "83": "dyall/dyall-av3z.1.element.json", + "84": "dyall/dyall-av3z.1.element.json", + "85": "dyall/dyall-av3z.1.element.json", + "86": "dyall/dyall-av3z.1.element.json", + "87": "dyall/dyall-av3z.1.element.json", + "88": "dyall/dyall-av3z.1.element.json", + "104": "dyall/dyall-av3z.1.element.json", + "105": "dyall/dyall-av3z.1.element.json", + "106": "dyall/dyall-av3z.1.element.json", + "107": "dyall/dyall-av3z.1.element.json", + "108": "dyall/dyall-av3z.1.element.json", + "109": "dyall/dyall-av3z.1.element.json", + "110": "dyall/dyall-av3z.1.element.json", + "111": "dyall/dyall-av3z.1.element.json", + "112": "dyall/dyall-av3z.1.element.json", + "113": "dyall/dyall-av3z.1.element.json", + "114": "dyall/dyall-av3z.1.element.json", + "115": "dyall/dyall-av3z.1.element.json", + "116": "dyall/dyall-av3z.1.element.json", + "117": "dyall/dyall-av3z.1.element.json", + "118": "dyall/dyall-av3z.1.element.json" + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-av3z.metadata.json b/basis_set_exchange/data/dyall-av3z.metadata.json new file mode 100644 index 00000000..c17233f9 --- /dev/null +++ b/basis_set_exchange/data/dyall-av3z.metadata.json @@ -0,0 +1,14 @@ +{ + "molssi_bse_schema": { + "schema_type": "metadata", + "schema_version": "0.1" + }, + "names": [ + "dyall-av3z" + ], + "tags": [], + "family": "dyall", + "description": "Dyall's augmented valence 3-zeta primitive basis set", + "role": "orbital", + "auxiliaries": {} +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-av4z.1.table.json b/basis_set_exchange/data/dyall-av4z.1.table.json new file mode 100644 index 00000000..4367aa2f --- /dev/null +++ b/basis_set_exchange/data/dyall-av4z.1.table.json @@ -0,0 +1,98 @@ +{ + "molssi_bse_schema": { + "schema_type": "table", + "schema_version": "0.1" + }, + "revision_description": "Data from https://zenodo.org/records/7574629", + "revision_date": "2024-11-17", + "elements": { + "1": "dyall/dyall-av4z.1.element.json", + "2": "dyall/dyall-av4z.1.element.json", + "3": "dyall/dyall-av4z.1.element.json", + "4": "dyall/dyall-av4z.1.element.json", + "5": "dyall/dyall-av4z.1.element.json", + "6": "dyall/dyall-av4z.1.element.json", + "7": "dyall/dyall-av4z.1.element.json", + "8": "dyall/dyall-av4z.1.element.json", + "9": "dyall/dyall-av4z.1.element.json", + "10": "dyall/dyall-av4z.1.element.json", + "11": "dyall/dyall-av4z.1.element.json", + "12": "dyall/dyall-av4z.1.element.json", + "13": "dyall/dyall-av4z.1.element.json", + "14": "dyall/dyall-av4z.1.element.json", + "15": "dyall/dyall-av4z.1.element.json", + "16": "dyall/dyall-av4z.1.element.json", + "17": "dyall/dyall-av4z.1.element.json", + "18": "dyall/dyall-av4z.1.element.json", + "19": "dyall/dyall-av4z.1.element.json", + "20": "dyall/dyall-av4z.1.element.json", + "21": "dyall/dyall-av4z.1.element.json", + "22": "dyall/dyall-av4z.1.element.json", + "23": "dyall/dyall-av4z.1.element.json", + "24": "dyall/dyall-av4z.1.element.json", + "25": "dyall/dyall-av4z.1.element.json", + "26": "dyall/dyall-av4z.1.element.json", + "27": "dyall/dyall-av4z.1.element.json", + "28": "dyall/dyall-av4z.1.element.json", + "29": "dyall/dyall-av4z.1.element.json", + "30": "dyall/dyall-av4z.1.element.json", + "31": "dyall/dyall-av4z.1.element.json", + "32": "dyall/dyall-av4z.1.element.json", + "33": "dyall/dyall-av4z.1.element.json", + "34": "dyall/dyall-av4z.1.element.json", + "35": "dyall/dyall-av4z.1.element.json", + "36": "dyall/dyall-av4z.1.element.json", + "37": "dyall/dyall-av4z.1.element.json", + "38": "dyall/dyall-av4z.1.element.json", + "39": "dyall/dyall-av4z.1.element.json", + "40": "dyall/dyall-av4z.1.element.json", + "41": "dyall/dyall-av4z.1.element.json", + "42": "dyall/dyall-av4z.1.element.json", + "43": "dyall/dyall-av4z.1.element.json", + "44": "dyall/dyall-av4z.1.element.json", + "45": "dyall/dyall-av4z.1.element.json", + "46": "dyall/dyall-av4z.1.element.json", + "47": "dyall/dyall-av4z.1.element.json", + "48": "dyall/dyall-av4z.1.element.json", + "49": "dyall/dyall-av4z.1.element.json", + "50": "dyall/dyall-av4z.1.element.json", + "51": "dyall/dyall-av4z.1.element.json", + "52": "dyall/dyall-av4z.1.element.json", + "53": "dyall/dyall-av4z.1.element.json", + "54": "dyall/dyall-av4z.1.element.json", + "55": "dyall/dyall-av4z.1.element.json", + "56": "dyall/dyall-av4z.1.element.json", + "72": "dyall/dyall-av4z.1.element.json", + "73": "dyall/dyall-av4z.1.element.json", + "74": "dyall/dyall-av4z.1.element.json", + "75": "dyall/dyall-av4z.1.element.json", + "76": "dyall/dyall-av4z.1.element.json", + "77": "dyall/dyall-av4z.1.element.json", + "78": "dyall/dyall-av4z.1.element.json", + "79": "dyall/dyall-av4z.1.element.json", + "80": "dyall/dyall-av4z.1.element.json", + "81": "dyall/dyall-av4z.1.element.json", + "82": "dyall/dyall-av4z.1.element.json", + "83": "dyall/dyall-av4z.1.element.json", + "84": "dyall/dyall-av4z.1.element.json", + "85": "dyall/dyall-av4z.1.element.json", + "86": "dyall/dyall-av4z.1.element.json", + "87": "dyall/dyall-av4z.1.element.json", + "88": "dyall/dyall-av4z.1.element.json", + "104": "dyall/dyall-av4z.1.element.json", + "105": "dyall/dyall-av4z.1.element.json", + "106": "dyall/dyall-av4z.1.element.json", + "107": "dyall/dyall-av4z.1.element.json", + "108": "dyall/dyall-av4z.1.element.json", + "109": "dyall/dyall-av4z.1.element.json", + "110": "dyall/dyall-av4z.1.element.json", + "111": "dyall/dyall-av4z.1.element.json", + "112": "dyall/dyall-av4z.1.element.json", + "113": "dyall/dyall-av4z.1.element.json", + "114": "dyall/dyall-av4z.1.element.json", + "115": "dyall/dyall-av4z.1.element.json", + "116": "dyall/dyall-av4z.1.element.json", + "117": "dyall/dyall-av4z.1.element.json", + "118": "dyall/dyall-av4z.1.element.json" + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-av4z.metadata.json b/basis_set_exchange/data/dyall-av4z.metadata.json new file mode 100644 index 00000000..f9895004 --- /dev/null +++ b/basis_set_exchange/data/dyall-av4z.metadata.json @@ -0,0 +1,14 @@ +{ + "molssi_bse_schema": { + "schema_type": "metadata", + "schema_version": "0.1" + }, + "names": [ + "dyall-av4z" + ], + "tags": [], + "family": "dyall", + "description": "Dyall's augmented valence 4-zeta primitive basis set", + "role": "orbital", + "auxiliaries": {} +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-cv2z.1.table.json b/basis_set_exchange/data/dyall-cv2z.1.table.json new file mode 100644 index 00000000..2edad350 --- /dev/null +++ b/basis_set_exchange/data/dyall-cv2z.1.table.json @@ -0,0 +1,128 @@ +{ + "molssi_bse_schema": { + "schema_type": "table", + "schema_version": "0.1" + }, + "revision_description": "Data from https://zenodo.org/records/7574629", + "revision_date": "2024-11-17", + "elements": { + "1": "dyall/dyall-cv2z.1.element.json", + "2": "dyall/dyall-cv2z.1.element.json", + "3": "dyall/dyall-cv2z.1.element.json", + "4": "dyall/dyall-cv2z.1.element.json", + "5": "dyall/dyall-cv2z.1.element.json", + "6": "dyall/dyall-cv2z.1.element.json", + "7": "dyall/dyall-cv2z.1.element.json", + "8": "dyall/dyall-cv2z.1.element.json", + "9": "dyall/dyall-cv2z.1.element.json", + "10": "dyall/dyall-cv2z.1.element.json", + "11": "dyall/dyall-cv2z.1.element.json", + "12": "dyall/dyall-cv2z.1.element.json", + "13": "dyall/dyall-cv2z.1.element.json", + "14": "dyall/dyall-cv2z.1.element.json", + "15": "dyall/dyall-cv2z.1.element.json", + "16": "dyall/dyall-cv2z.1.element.json", + "17": "dyall/dyall-cv2z.1.element.json", + "18": "dyall/dyall-cv2z.1.element.json", + "19": "dyall/dyall-cv2z.1.element.json", + "20": "dyall/dyall-cv2z.1.element.json", + "21": "dyall/dyall-cv2z.1.element.json", + "22": "dyall/dyall-cv2z.1.element.json", + "23": "dyall/dyall-cv2z.1.element.json", + "24": "dyall/dyall-cv2z.1.element.json", + "25": "dyall/dyall-cv2z.1.element.json", + "26": "dyall/dyall-cv2z.1.element.json", + "27": "dyall/dyall-cv2z.1.element.json", + "28": "dyall/dyall-cv2z.1.element.json", + "29": "dyall/dyall-cv2z.1.element.json", + "30": "dyall/dyall-cv2z.1.element.json", + "31": "dyall/dyall-cv2z.1.element.json", + "32": "dyall/dyall-cv2z.1.element.json", + "33": "dyall/dyall-cv2z.1.element.json", + "34": "dyall/dyall-cv2z.1.element.json", + "35": "dyall/dyall-cv2z.1.element.json", + "36": "dyall/dyall-cv2z.1.element.json", + "37": "dyall/dyall-cv2z.1.element.json", + "38": "dyall/dyall-cv2z.1.element.json", + "39": "dyall/dyall-cv2z.1.element.json", + "40": "dyall/dyall-cv2z.1.element.json", + "41": "dyall/dyall-cv2z.1.element.json", + "42": "dyall/dyall-cv2z.1.element.json", + "43": "dyall/dyall-cv2z.1.element.json", + "44": "dyall/dyall-cv2z.1.element.json", + "45": "dyall/dyall-cv2z.1.element.json", + "46": "dyall/dyall-cv2z.1.element.json", + "47": "dyall/dyall-cv2z.1.element.json", + "48": "dyall/dyall-cv2z.1.element.json", + "49": "dyall/dyall-cv2z.1.element.json", + "50": "dyall/dyall-cv2z.1.element.json", + "51": "dyall/dyall-cv2z.1.element.json", + "52": "dyall/dyall-cv2z.1.element.json", + "53": "dyall/dyall-cv2z.1.element.json", + "54": "dyall/dyall-cv2z.1.element.json", + "55": "dyall/dyall-cv2z.1.element.json", + "56": "dyall/dyall-cv2z.1.element.json", + "57": "dyall/dyall-cv2z.1.element.json", + "58": "dyall/dyall-cv2z.1.element.json", + "59": "dyall/dyall-cv2z.1.element.json", + "60": "dyall/dyall-cv2z.1.element.json", + "61": "dyall/dyall-cv2z.1.element.json", + "62": "dyall/dyall-cv2z.1.element.json", + "63": "dyall/dyall-cv2z.1.element.json", + "64": "dyall/dyall-cv2z.1.element.json", + "65": "dyall/dyall-cv2z.1.element.json", + "66": "dyall/dyall-cv2z.1.element.json", + "67": "dyall/dyall-cv2z.1.element.json", + "68": "dyall/dyall-cv2z.1.element.json", + "69": "dyall/dyall-cv2z.1.element.json", + "70": "dyall/dyall-cv2z.1.element.json", + "71": "dyall/dyall-cv2z.1.element.json", + "72": "dyall/dyall-cv2z.1.element.json", + "73": "dyall/dyall-cv2z.1.element.json", + "74": "dyall/dyall-cv2z.1.element.json", + "75": "dyall/dyall-cv2z.1.element.json", + "76": "dyall/dyall-cv2z.1.element.json", + "77": "dyall/dyall-cv2z.1.element.json", + "78": "dyall/dyall-cv2z.1.element.json", + "79": "dyall/dyall-cv2z.1.element.json", + "80": "dyall/dyall-cv2z.1.element.json", + "81": "dyall/dyall-cv2z.1.element.json", + "82": "dyall/dyall-cv2z.1.element.json", + "83": "dyall/dyall-cv2z.1.element.json", + "84": "dyall/dyall-cv2z.1.element.json", + "85": "dyall/dyall-cv2z.1.element.json", + "86": "dyall/dyall-cv2z.1.element.json", + "87": "dyall/dyall-cv2z.1.element.json", + "88": "dyall/dyall-cv2z.1.element.json", + "89": "dyall/dyall-cv2z.1.element.json", + "90": "dyall/dyall-cv2z.1.element.json", + "91": "dyall/dyall-cv2z.1.element.json", + "92": "dyall/dyall-cv2z.1.element.json", + "93": "dyall/dyall-cv2z.1.element.json", + "94": "dyall/dyall-cv2z.1.element.json", + "95": "dyall/dyall-cv2z.1.element.json", + "96": "dyall/dyall-cv2z.1.element.json", + "97": "dyall/dyall-cv2z.1.element.json", + "98": "dyall/dyall-cv2z.1.element.json", + "99": "dyall/dyall-cv2z.1.element.json", + "100": "dyall/dyall-cv2z.1.element.json", + "101": "dyall/dyall-cv2z.1.element.json", + "102": "dyall/dyall-cv2z.1.element.json", + "103": "dyall/dyall-cv2z.1.element.json", + "104": "dyall/dyall-cv2z.1.element.json", + "105": "dyall/dyall-cv2z.1.element.json", + "106": "dyall/dyall-cv2z.1.element.json", + "107": "dyall/dyall-cv2z.1.element.json", + "108": "dyall/dyall-cv2z.1.element.json", + "109": "dyall/dyall-cv2z.1.element.json", + "110": "dyall/dyall-cv2z.1.element.json", + "111": "dyall/dyall-cv2z.1.element.json", + "112": "dyall/dyall-cv2z.1.element.json", + "113": "dyall/dyall-cv2z.1.element.json", + "114": "dyall/dyall-cv2z.1.element.json", + "115": "dyall/dyall-cv2z.1.element.json", + "116": "dyall/dyall-cv2z.1.element.json", + "117": "dyall/dyall-cv2z.1.element.json", + "118": "dyall/dyall-cv2z.1.element.json" + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-cv2z.metadata.json b/basis_set_exchange/data/dyall-cv2z.metadata.json new file mode 100644 index 00000000..f9aa8faa --- /dev/null +++ b/basis_set_exchange/data/dyall-cv2z.metadata.json @@ -0,0 +1,14 @@ +{ + "molssi_bse_schema": { + "schema_type": "metadata", + "schema_version": "0.1" + }, + "names": [ + "dyall-cv2z" + ], + "tags": [], + "family": "dyall", + "description": "Dyall's core-valence 2-zeta primitive basis set", + "role": "orbital", + "auxiliaries": {} +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-cv3z.1.table.json b/basis_set_exchange/data/dyall-cv3z.1.table.json new file mode 100644 index 00000000..d610c7be --- /dev/null +++ b/basis_set_exchange/data/dyall-cv3z.1.table.json @@ -0,0 +1,128 @@ +{ + "molssi_bse_schema": { + "schema_type": "table", + "schema_version": "0.1" + }, + "revision_description": "Data from https://zenodo.org/records/7574629", + "revision_date": "2024-11-17", + "elements": { + "1": "dyall/dyall-cv3z.1.element.json", + "2": "dyall/dyall-cv3z.1.element.json", + "3": "dyall/dyall-cv3z.1.element.json", + "4": "dyall/dyall-cv3z.1.element.json", + "5": "dyall/dyall-cv3z.1.element.json", + "6": "dyall/dyall-cv3z.1.element.json", + "7": "dyall/dyall-cv3z.1.element.json", + "8": "dyall/dyall-cv3z.1.element.json", + "9": "dyall/dyall-cv3z.1.element.json", + "10": "dyall/dyall-cv3z.1.element.json", + "11": "dyall/dyall-cv3z.1.element.json", + "12": "dyall/dyall-cv3z.1.element.json", + "13": "dyall/dyall-cv3z.1.element.json", + "14": "dyall/dyall-cv3z.1.element.json", + "15": "dyall/dyall-cv3z.1.element.json", + "16": "dyall/dyall-cv3z.1.element.json", + "17": "dyall/dyall-cv3z.1.element.json", + "18": "dyall/dyall-cv3z.1.element.json", + "19": "dyall/dyall-cv3z.1.element.json", + "20": "dyall/dyall-cv3z.1.element.json", + "21": "dyall/dyall-cv3z.1.element.json", + "22": "dyall/dyall-cv3z.1.element.json", + "23": "dyall/dyall-cv3z.1.element.json", + "24": "dyall/dyall-cv3z.1.element.json", + "25": "dyall/dyall-cv3z.1.element.json", + "26": "dyall/dyall-cv3z.1.element.json", + "27": "dyall/dyall-cv3z.1.element.json", + "28": "dyall/dyall-cv3z.1.element.json", + "29": "dyall/dyall-cv3z.1.element.json", + "30": "dyall/dyall-cv3z.1.element.json", + "31": "dyall/dyall-cv3z.1.element.json", + "32": "dyall/dyall-cv3z.1.element.json", + "33": "dyall/dyall-cv3z.1.element.json", + "34": "dyall/dyall-cv3z.1.element.json", + "35": "dyall/dyall-cv3z.1.element.json", + "36": "dyall/dyall-cv3z.1.element.json", + "37": "dyall/dyall-cv3z.1.element.json", + "38": "dyall/dyall-cv3z.1.element.json", + "39": "dyall/dyall-cv3z.1.element.json", + "40": "dyall/dyall-cv3z.1.element.json", + "41": "dyall/dyall-cv3z.1.element.json", + "42": "dyall/dyall-cv3z.1.element.json", + "43": "dyall/dyall-cv3z.1.element.json", + "44": "dyall/dyall-cv3z.1.element.json", + "45": "dyall/dyall-cv3z.1.element.json", + "46": "dyall/dyall-cv3z.1.element.json", + "47": "dyall/dyall-cv3z.1.element.json", + "48": "dyall/dyall-cv3z.1.element.json", + "49": "dyall/dyall-cv3z.1.element.json", + "50": "dyall/dyall-cv3z.1.element.json", + "51": "dyall/dyall-cv3z.1.element.json", + "52": "dyall/dyall-cv3z.1.element.json", + "53": "dyall/dyall-cv3z.1.element.json", + "54": "dyall/dyall-cv3z.1.element.json", + "55": "dyall/dyall-cv3z.1.element.json", + "56": "dyall/dyall-cv3z.1.element.json", + "57": "dyall/dyall-cv3z.1.element.json", + "58": "dyall/dyall-cv3z.1.element.json", + "59": "dyall/dyall-cv3z.1.element.json", + "60": "dyall/dyall-cv3z.1.element.json", + "61": "dyall/dyall-cv3z.1.element.json", + "62": "dyall/dyall-cv3z.1.element.json", + "63": "dyall/dyall-cv3z.1.element.json", + "64": "dyall/dyall-cv3z.1.element.json", + "65": "dyall/dyall-cv3z.1.element.json", + "66": "dyall/dyall-cv3z.1.element.json", + "67": "dyall/dyall-cv3z.1.element.json", + "68": "dyall/dyall-cv3z.1.element.json", + "69": "dyall/dyall-cv3z.1.element.json", + "70": "dyall/dyall-cv3z.1.element.json", + "71": "dyall/dyall-cv3z.1.element.json", + "72": "dyall/dyall-cv3z.1.element.json", + "73": "dyall/dyall-cv3z.1.element.json", + "74": "dyall/dyall-cv3z.1.element.json", + "75": "dyall/dyall-cv3z.1.element.json", + "76": "dyall/dyall-cv3z.1.element.json", + "77": "dyall/dyall-cv3z.1.element.json", + "78": "dyall/dyall-cv3z.1.element.json", + "79": "dyall/dyall-cv3z.1.element.json", + "80": "dyall/dyall-cv3z.1.element.json", + "81": "dyall/dyall-cv3z.1.element.json", + "82": "dyall/dyall-cv3z.1.element.json", + "83": "dyall/dyall-cv3z.1.element.json", + "84": "dyall/dyall-cv3z.1.element.json", + "85": "dyall/dyall-cv3z.1.element.json", + "86": "dyall/dyall-cv3z.1.element.json", + "87": "dyall/dyall-cv3z.1.element.json", + "88": "dyall/dyall-cv3z.1.element.json", + "89": "dyall/dyall-cv3z.1.element.json", + "90": "dyall/dyall-cv3z.1.element.json", + "91": "dyall/dyall-cv3z.1.element.json", + "92": "dyall/dyall-cv3z.1.element.json", + "93": "dyall/dyall-cv3z.1.element.json", + "94": "dyall/dyall-cv3z.1.element.json", + "95": "dyall/dyall-cv3z.1.element.json", + "96": "dyall/dyall-cv3z.1.element.json", + "97": "dyall/dyall-cv3z.1.element.json", + "98": "dyall/dyall-cv3z.1.element.json", + "99": "dyall/dyall-cv3z.1.element.json", + "100": "dyall/dyall-cv3z.1.element.json", + "101": "dyall/dyall-cv3z.1.element.json", + "102": "dyall/dyall-cv3z.1.element.json", + "103": "dyall/dyall-cv3z.1.element.json", + "104": "dyall/dyall-cv3z.1.element.json", + "105": "dyall/dyall-cv3z.1.element.json", + "106": "dyall/dyall-cv3z.1.element.json", + "107": "dyall/dyall-cv3z.1.element.json", + "108": "dyall/dyall-cv3z.1.element.json", + "109": "dyall/dyall-cv3z.1.element.json", + "110": "dyall/dyall-cv3z.1.element.json", + "111": "dyall/dyall-cv3z.1.element.json", + "112": "dyall/dyall-cv3z.1.element.json", + "113": "dyall/dyall-cv3z.1.element.json", + "114": "dyall/dyall-cv3z.1.element.json", + "115": "dyall/dyall-cv3z.1.element.json", + "116": "dyall/dyall-cv3z.1.element.json", + "117": "dyall/dyall-cv3z.1.element.json", + "118": "dyall/dyall-cv3z.1.element.json" + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-cv3z.metadata.json b/basis_set_exchange/data/dyall-cv3z.metadata.json new file mode 100644 index 00000000..1d6fa1f9 --- /dev/null +++ b/basis_set_exchange/data/dyall-cv3z.metadata.json @@ -0,0 +1,14 @@ +{ + "molssi_bse_schema": { + "schema_type": "metadata", + "schema_version": "0.1" + }, + "names": [ + "dyall-cv3z" + ], + "tags": [], + "family": "dyall", + "description": "Dyall's core-valence 3-zeta primitive basis set", + "role": "orbital", + "auxiliaries": {} +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-cv4z.1.table.json b/basis_set_exchange/data/dyall-cv4z.1.table.json new file mode 100644 index 00000000..c82ec27e --- /dev/null +++ b/basis_set_exchange/data/dyall-cv4z.1.table.json @@ -0,0 +1,128 @@ +{ + "molssi_bse_schema": { + "schema_type": "table", + "schema_version": "0.1" + }, + "revision_description": "Data from https://zenodo.org/records/7574629", + "revision_date": "2024-11-17", + "elements": { + "1": "dyall/dyall-cv4z.1.element.json", + "2": "dyall/dyall-cv4z.1.element.json", + "3": "dyall/dyall-cv4z.1.element.json", + "4": "dyall/dyall-cv4z.1.element.json", + "5": "dyall/dyall-cv4z.1.element.json", + "6": "dyall/dyall-cv4z.1.element.json", + "7": "dyall/dyall-cv4z.1.element.json", + "8": "dyall/dyall-cv4z.1.element.json", + "9": "dyall/dyall-cv4z.1.element.json", + "10": "dyall/dyall-cv4z.1.element.json", + "11": "dyall/dyall-cv4z.1.element.json", + "12": "dyall/dyall-cv4z.1.element.json", + "13": "dyall/dyall-cv4z.1.element.json", + "14": "dyall/dyall-cv4z.1.element.json", + "15": "dyall/dyall-cv4z.1.element.json", + "16": "dyall/dyall-cv4z.1.element.json", + "17": "dyall/dyall-cv4z.1.element.json", + "18": "dyall/dyall-cv4z.1.element.json", + "19": "dyall/dyall-cv4z.1.element.json", + "20": "dyall/dyall-cv4z.1.element.json", + "21": "dyall/dyall-cv4z.1.element.json", + "22": "dyall/dyall-cv4z.1.element.json", + "23": "dyall/dyall-cv4z.1.element.json", + "24": "dyall/dyall-cv4z.1.element.json", + "25": "dyall/dyall-cv4z.1.element.json", + "26": "dyall/dyall-cv4z.1.element.json", + "27": "dyall/dyall-cv4z.1.element.json", + "28": "dyall/dyall-cv4z.1.element.json", + "29": "dyall/dyall-cv4z.1.element.json", + "30": "dyall/dyall-cv4z.1.element.json", + "31": "dyall/dyall-cv4z.1.element.json", + "32": "dyall/dyall-cv4z.1.element.json", + "33": "dyall/dyall-cv4z.1.element.json", + "34": "dyall/dyall-cv4z.1.element.json", + "35": "dyall/dyall-cv4z.1.element.json", + "36": "dyall/dyall-cv4z.1.element.json", + "37": "dyall/dyall-cv4z.1.element.json", + "38": "dyall/dyall-cv4z.1.element.json", + "39": "dyall/dyall-cv4z.1.element.json", + "40": "dyall/dyall-cv4z.1.element.json", + "41": "dyall/dyall-cv4z.1.element.json", + "42": "dyall/dyall-cv4z.1.element.json", + "43": "dyall/dyall-cv4z.1.element.json", + "44": "dyall/dyall-cv4z.1.element.json", + "45": "dyall/dyall-cv4z.1.element.json", + "46": "dyall/dyall-cv4z.1.element.json", + "47": "dyall/dyall-cv4z.1.element.json", + "48": "dyall/dyall-cv4z.1.element.json", + "49": "dyall/dyall-cv4z.1.element.json", + "50": "dyall/dyall-cv4z.1.element.json", + "51": "dyall/dyall-cv4z.1.element.json", + "52": "dyall/dyall-cv4z.1.element.json", + "53": "dyall/dyall-cv4z.1.element.json", + "54": "dyall/dyall-cv4z.1.element.json", + "55": "dyall/dyall-cv4z.1.element.json", + "56": "dyall/dyall-cv4z.1.element.json", + "57": "dyall/dyall-cv4z.1.element.json", + "58": "dyall/dyall-cv4z.1.element.json", + "59": "dyall/dyall-cv4z.1.element.json", + "60": "dyall/dyall-cv4z.1.element.json", + "61": "dyall/dyall-cv4z.1.element.json", + "62": "dyall/dyall-cv4z.1.element.json", + "63": "dyall/dyall-cv4z.1.element.json", + "64": "dyall/dyall-cv4z.1.element.json", + "65": "dyall/dyall-cv4z.1.element.json", + "66": "dyall/dyall-cv4z.1.element.json", + "67": "dyall/dyall-cv4z.1.element.json", + "68": "dyall/dyall-cv4z.1.element.json", + "69": "dyall/dyall-cv4z.1.element.json", + "70": "dyall/dyall-cv4z.1.element.json", + "71": "dyall/dyall-cv4z.1.element.json", + "72": "dyall/dyall-cv4z.1.element.json", + "73": "dyall/dyall-cv4z.1.element.json", + "74": "dyall/dyall-cv4z.1.element.json", + "75": "dyall/dyall-cv4z.1.element.json", + "76": "dyall/dyall-cv4z.1.element.json", + "77": "dyall/dyall-cv4z.1.element.json", + "78": "dyall/dyall-cv4z.1.element.json", + "79": "dyall/dyall-cv4z.1.element.json", + "80": "dyall/dyall-cv4z.1.element.json", + "81": "dyall/dyall-cv4z.1.element.json", + "82": "dyall/dyall-cv4z.1.element.json", + "83": "dyall/dyall-cv4z.1.element.json", + "84": "dyall/dyall-cv4z.1.element.json", + "85": "dyall/dyall-cv4z.1.element.json", + "86": "dyall/dyall-cv4z.1.element.json", + "87": "dyall/dyall-cv4z.1.element.json", + "88": "dyall/dyall-cv4z.1.element.json", + "89": "dyall/dyall-cv4z.1.element.json", + "90": "dyall/dyall-cv4z.1.element.json", + "91": "dyall/dyall-cv4z.1.element.json", + "92": "dyall/dyall-cv4z.1.element.json", + "93": "dyall/dyall-cv4z.1.element.json", + "94": "dyall/dyall-cv4z.1.element.json", + "95": "dyall/dyall-cv4z.1.element.json", + "96": "dyall/dyall-cv4z.1.element.json", + "97": "dyall/dyall-cv4z.1.element.json", + "98": "dyall/dyall-cv4z.1.element.json", + "99": "dyall/dyall-cv4z.1.element.json", + "100": "dyall/dyall-cv4z.1.element.json", + "101": "dyall/dyall-cv4z.1.element.json", + "102": "dyall/dyall-cv4z.1.element.json", + "103": "dyall/dyall-cv4z.1.element.json", + "104": "dyall/dyall-cv4z.1.element.json", + "105": "dyall/dyall-cv4z.1.element.json", + "106": "dyall/dyall-cv4z.1.element.json", + "107": "dyall/dyall-cv4z.1.element.json", + "108": "dyall/dyall-cv4z.1.element.json", + "109": "dyall/dyall-cv4z.1.element.json", + "110": "dyall/dyall-cv4z.1.element.json", + "111": "dyall/dyall-cv4z.1.element.json", + "112": "dyall/dyall-cv4z.1.element.json", + "113": "dyall/dyall-cv4z.1.element.json", + "114": "dyall/dyall-cv4z.1.element.json", + "115": "dyall/dyall-cv4z.1.element.json", + "116": "dyall/dyall-cv4z.1.element.json", + "117": "dyall/dyall-cv4z.1.element.json", + "118": "dyall/dyall-cv4z.1.element.json" + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-cv4z.metadata.json b/basis_set_exchange/data/dyall-cv4z.metadata.json new file mode 100644 index 00000000..3f9fddfe --- /dev/null +++ b/basis_set_exchange/data/dyall-cv4z.metadata.json @@ -0,0 +1,14 @@ +{ + "molssi_bse_schema": { + "schema_type": "metadata", + "schema_version": "0.1" + }, + "names": [ + "dyall-cv4z" + ], + "tags": [], + "family": "dyall", + "description": "Dyall's core-valence 4-zeta primitive basis set", + "role": "orbital", + "auxiliaries": {} +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-v2z.1.table.json b/basis_set_exchange/data/dyall-v2z.1.table.json new file mode 100644 index 00000000..56b3246c --- /dev/null +++ b/basis_set_exchange/data/dyall-v2z.1.table.json @@ -0,0 +1,128 @@ +{ + "molssi_bse_schema": { + "schema_type": "table", + "schema_version": "0.1" + }, + "revision_description": "Data from https://zenodo.org/records/7574629", + "revision_date": "2024-11-17", + "elements": { + "1": "dyall/dyall-v2z.1.element.json", + "2": "dyall/dyall-v2z.1.element.json", + "3": "dyall/dyall-v2z.1.element.json", + "4": "dyall/dyall-v2z.1.element.json", + "5": "dyall/dyall-v2z.1.element.json", + "6": "dyall/dyall-v2z.1.element.json", + "7": "dyall/dyall-v2z.1.element.json", + "8": "dyall/dyall-v2z.1.element.json", + "9": "dyall/dyall-v2z.1.element.json", + "10": "dyall/dyall-v2z.1.element.json", + "11": "dyall/dyall-v2z.1.element.json", + "12": "dyall/dyall-v2z.1.element.json", + "13": "dyall/dyall-v2z.1.element.json", + "14": "dyall/dyall-v2z.1.element.json", + "15": "dyall/dyall-v2z.1.element.json", + "16": "dyall/dyall-v2z.1.element.json", + "17": "dyall/dyall-v2z.1.element.json", + "18": "dyall/dyall-v2z.1.element.json", + "19": "dyall/dyall-v2z.1.element.json", + "20": "dyall/dyall-v2z.1.element.json", + "21": "dyall/dyall-v2z.1.element.json", + "22": "dyall/dyall-v2z.1.element.json", + "23": "dyall/dyall-v2z.1.element.json", + "24": "dyall/dyall-v2z.1.element.json", + "25": "dyall/dyall-v2z.1.element.json", + "26": "dyall/dyall-v2z.1.element.json", + "27": "dyall/dyall-v2z.1.element.json", + "28": "dyall/dyall-v2z.1.element.json", + "29": "dyall/dyall-v2z.1.element.json", + "30": "dyall/dyall-v2z.1.element.json", + "31": "dyall/dyall-v2z.1.element.json", + "32": "dyall/dyall-v2z.1.element.json", + "33": "dyall/dyall-v2z.1.element.json", + "34": "dyall/dyall-v2z.1.element.json", + "35": "dyall/dyall-v2z.1.element.json", + "36": "dyall/dyall-v2z.1.element.json", + "37": "dyall/dyall-v2z.1.element.json", + "38": "dyall/dyall-v2z.1.element.json", + "39": "dyall/dyall-v2z.1.element.json", + "40": "dyall/dyall-v2z.1.element.json", + "41": "dyall/dyall-v2z.1.element.json", + "42": "dyall/dyall-v2z.1.element.json", + "43": "dyall/dyall-v2z.1.element.json", + "44": "dyall/dyall-v2z.1.element.json", + "45": "dyall/dyall-v2z.1.element.json", + "46": "dyall/dyall-v2z.1.element.json", + "47": "dyall/dyall-v2z.1.element.json", + "48": "dyall/dyall-v2z.1.element.json", + "49": "dyall/dyall-v2z.1.element.json", + "50": "dyall/dyall-v2z.1.element.json", + "51": "dyall/dyall-v2z.1.element.json", + "52": "dyall/dyall-v2z.1.element.json", + "53": "dyall/dyall-v2z.1.element.json", + "54": "dyall/dyall-v2z.1.element.json", + "55": "dyall/dyall-v2z.1.element.json", + "56": "dyall/dyall-v2z.1.element.json", + "57": "dyall/dyall-v2z.1.element.json", + "58": "dyall/dyall-v2z.1.element.json", + "59": "dyall/dyall-v2z.1.element.json", + "60": "dyall/dyall-v2z.1.element.json", + "61": "dyall/dyall-v2z.1.element.json", + "62": "dyall/dyall-v2z.1.element.json", + "63": "dyall/dyall-v2z.1.element.json", + "64": "dyall/dyall-v2z.1.element.json", + "65": "dyall/dyall-v2z.1.element.json", + "66": "dyall/dyall-v2z.1.element.json", + "67": "dyall/dyall-v2z.1.element.json", + "68": "dyall/dyall-v2z.1.element.json", + "69": "dyall/dyall-v2z.1.element.json", + "70": "dyall/dyall-v2z.1.element.json", + "71": "dyall/dyall-v2z.1.element.json", + "72": "dyall/dyall-v2z.1.element.json", + "73": "dyall/dyall-v2z.1.element.json", + "74": "dyall/dyall-v2z.1.element.json", + "75": "dyall/dyall-v2z.1.element.json", + "76": "dyall/dyall-v2z.1.element.json", + "77": "dyall/dyall-v2z.1.element.json", + "78": "dyall/dyall-v2z.1.element.json", + "79": "dyall/dyall-v2z.1.element.json", + "80": "dyall/dyall-v2z.1.element.json", + "81": "dyall/dyall-v2z.1.element.json", + "82": "dyall/dyall-v2z.1.element.json", + "83": "dyall/dyall-v2z.1.element.json", + "84": "dyall/dyall-v2z.1.element.json", + "85": "dyall/dyall-v2z.1.element.json", + "86": "dyall/dyall-v2z.1.element.json", + "87": "dyall/dyall-v2z.1.element.json", + "88": "dyall/dyall-v2z.1.element.json", + "89": "dyall/dyall-v2z.1.element.json", + "90": "dyall/dyall-v2z.1.element.json", + "91": "dyall/dyall-v2z.1.element.json", + "92": "dyall/dyall-v2z.1.element.json", + "93": "dyall/dyall-v2z.1.element.json", + "94": "dyall/dyall-v2z.1.element.json", + "95": "dyall/dyall-v2z.1.element.json", + "96": "dyall/dyall-v2z.1.element.json", + "97": "dyall/dyall-v2z.1.element.json", + "98": "dyall/dyall-v2z.1.element.json", + "99": "dyall/dyall-v2z.1.element.json", + "100": "dyall/dyall-v2z.1.element.json", + "101": "dyall/dyall-v2z.1.element.json", + "102": "dyall/dyall-v2z.1.element.json", + "103": "dyall/dyall-v2z.1.element.json", + "104": "dyall/dyall-v2z.1.element.json", + "105": "dyall/dyall-v2z.1.element.json", + "106": "dyall/dyall-v2z.1.element.json", + "107": "dyall/dyall-v2z.1.element.json", + "108": "dyall/dyall-v2z.1.element.json", + "109": "dyall/dyall-v2z.1.element.json", + "110": "dyall/dyall-v2z.1.element.json", + "111": "dyall/dyall-v2z.1.element.json", + "112": "dyall/dyall-v2z.1.element.json", + "113": "dyall/dyall-v2z.1.element.json", + "114": "dyall/dyall-v2z.1.element.json", + "115": "dyall/dyall-v2z.1.element.json", + "116": "dyall/dyall-v2z.1.element.json", + "117": "dyall/dyall-v2z.1.element.json", + "118": "dyall/dyall-v2z.1.element.json" + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-v2z.metadata.json b/basis_set_exchange/data/dyall-v2z.metadata.json new file mode 100644 index 00000000..ee3a39aa --- /dev/null +++ b/basis_set_exchange/data/dyall-v2z.metadata.json @@ -0,0 +1,14 @@ +{ + "molssi_bse_schema": { + "schema_type": "metadata", + "schema_version": "0.1" + }, + "names": [ + "dyall-v2z" + ], + "tags": [], + "family": "dyall", + "description": "Dyall's valence 2-zeta primitive basis set", + "role": "orbital", + "auxiliaries": {} +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-v3z.1.table.json b/basis_set_exchange/data/dyall-v3z.1.table.json new file mode 100644 index 00000000..254d81ff --- /dev/null +++ b/basis_set_exchange/data/dyall-v3z.1.table.json @@ -0,0 +1,128 @@ +{ + "molssi_bse_schema": { + "schema_type": "table", + "schema_version": "0.1" + }, + "revision_description": "Data from https://zenodo.org/records/7574629", + "revision_date": "2024-11-17", + "elements": { + "1": "dyall/dyall-v3z.1.element.json", + "2": "dyall/dyall-v3z.1.element.json", + "3": "dyall/dyall-v3z.1.element.json", + "4": "dyall/dyall-v3z.1.element.json", + "5": "dyall/dyall-v3z.1.element.json", + "6": "dyall/dyall-v3z.1.element.json", + "7": "dyall/dyall-v3z.1.element.json", + "8": "dyall/dyall-v3z.1.element.json", + "9": "dyall/dyall-v3z.1.element.json", + "10": "dyall/dyall-v3z.1.element.json", + "11": "dyall/dyall-v3z.1.element.json", + "12": "dyall/dyall-v3z.1.element.json", + "13": "dyall/dyall-v3z.1.element.json", + "14": "dyall/dyall-v3z.1.element.json", + "15": "dyall/dyall-v3z.1.element.json", + "16": "dyall/dyall-v3z.1.element.json", + "17": "dyall/dyall-v3z.1.element.json", + "18": "dyall/dyall-v3z.1.element.json", + "19": "dyall/dyall-v3z.1.element.json", + "20": "dyall/dyall-v3z.1.element.json", + "21": "dyall/dyall-v3z.1.element.json", + "22": "dyall/dyall-v3z.1.element.json", + "23": "dyall/dyall-v3z.1.element.json", + "24": "dyall/dyall-v3z.1.element.json", + "25": "dyall/dyall-v3z.1.element.json", + "26": "dyall/dyall-v3z.1.element.json", + "27": "dyall/dyall-v3z.1.element.json", + "28": "dyall/dyall-v3z.1.element.json", + "29": "dyall/dyall-v3z.1.element.json", + "30": "dyall/dyall-v3z.1.element.json", + "31": "dyall/dyall-v3z.1.element.json", + "32": "dyall/dyall-v3z.1.element.json", + "33": "dyall/dyall-v3z.1.element.json", + "34": "dyall/dyall-v3z.1.element.json", + "35": "dyall/dyall-v3z.1.element.json", + "36": "dyall/dyall-v3z.1.element.json", + "37": "dyall/dyall-v3z.1.element.json", + "38": "dyall/dyall-v3z.1.element.json", + "39": "dyall/dyall-v3z.1.element.json", + "40": "dyall/dyall-v3z.1.element.json", + "41": "dyall/dyall-v3z.1.element.json", + "42": "dyall/dyall-v3z.1.element.json", + "43": "dyall/dyall-v3z.1.element.json", + "44": "dyall/dyall-v3z.1.element.json", + "45": "dyall/dyall-v3z.1.element.json", + "46": "dyall/dyall-v3z.1.element.json", + "47": "dyall/dyall-v3z.1.element.json", + "48": "dyall/dyall-v3z.1.element.json", + "49": "dyall/dyall-v3z.1.element.json", + "50": "dyall/dyall-v3z.1.element.json", + "51": "dyall/dyall-v3z.1.element.json", + "52": "dyall/dyall-v3z.1.element.json", + "53": "dyall/dyall-v3z.1.element.json", + "54": "dyall/dyall-v3z.1.element.json", + "55": "dyall/dyall-v3z.1.element.json", + "56": "dyall/dyall-v3z.1.element.json", + "57": "dyall/dyall-v3z.1.element.json", + "58": "dyall/dyall-v3z.1.element.json", + "59": "dyall/dyall-v3z.1.element.json", + "60": "dyall/dyall-v3z.1.element.json", + "61": "dyall/dyall-v3z.1.element.json", + "62": "dyall/dyall-v3z.1.element.json", + "63": "dyall/dyall-v3z.1.element.json", + "64": "dyall/dyall-v3z.1.element.json", + "65": "dyall/dyall-v3z.1.element.json", + "66": "dyall/dyall-v3z.1.element.json", + "67": "dyall/dyall-v3z.1.element.json", + "68": "dyall/dyall-v3z.1.element.json", + "69": "dyall/dyall-v3z.1.element.json", + "70": "dyall/dyall-v3z.1.element.json", + "71": "dyall/dyall-v3z.1.element.json", + "72": "dyall/dyall-v3z.1.element.json", + "73": "dyall/dyall-v3z.1.element.json", + "74": "dyall/dyall-v3z.1.element.json", + "75": "dyall/dyall-v3z.1.element.json", + "76": "dyall/dyall-v3z.1.element.json", + "77": "dyall/dyall-v3z.1.element.json", + "78": "dyall/dyall-v3z.1.element.json", + "79": "dyall/dyall-v3z.1.element.json", + "80": "dyall/dyall-v3z.1.element.json", + "81": "dyall/dyall-v3z.1.element.json", + "82": "dyall/dyall-v3z.1.element.json", + "83": "dyall/dyall-v3z.1.element.json", + "84": "dyall/dyall-v3z.1.element.json", + "85": "dyall/dyall-v3z.1.element.json", + "86": "dyall/dyall-v3z.1.element.json", + "87": "dyall/dyall-v3z.1.element.json", + "88": "dyall/dyall-v3z.1.element.json", + "89": "dyall/dyall-v3z.1.element.json", + "90": "dyall/dyall-v3z.1.element.json", + "91": "dyall/dyall-v3z.1.element.json", + "92": "dyall/dyall-v3z.1.element.json", + "93": "dyall/dyall-v3z.1.element.json", + "94": "dyall/dyall-v3z.1.element.json", + "95": "dyall/dyall-v3z.1.element.json", + "96": "dyall/dyall-v3z.1.element.json", + "97": "dyall/dyall-v3z.1.element.json", + "98": "dyall/dyall-v3z.1.element.json", + "99": "dyall/dyall-v3z.1.element.json", + "100": "dyall/dyall-v3z.1.element.json", + "101": "dyall/dyall-v3z.1.element.json", + "102": "dyall/dyall-v3z.1.element.json", + "103": "dyall/dyall-v3z.1.element.json", + "104": "dyall/dyall-v3z.1.element.json", + "105": "dyall/dyall-v3z.1.element.json", + "106": "dyall/dyall-v3z.1.element.json", + "107": "dyall/dyall-v3z.1.element.json", + "108": "dyall/dyall-v3z.1.element.json", + "109": "dyall/dyall-v3z.1.element.json", + "110": "dyall/dyall-v3z.1.element.json", + "111": "dyall/dyall-v3z.1.element.json", + "112": "dyall/dyall-v3z.1.element.json", + "113": "dyall/dyall-v3z.1.element.json", + "114": "dyall/dyall-v3z.1.element.json", + "115": "dyall/dyall-v3z.1.element.json", + "116": "dyall/dyall-v3z.1.element.json", + "117": "dyall/dyall-v3z.1.element.json", + "118": "dyall/dyall-v3z.1.element.json" + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-v3z.metadata.json b/basis_set_exchange/data/dyall-v3z.metadata.json new file mode 100644 index 00000000..a5efcd07 --- /dev/null +++ b/basis_set_exchange/data/dyall-v3z.metadata.json @@ -0,0 +1,14 @@ +{ + "molssi_bse_schema": { + "schema_type": "metadata", + "schema_version": "0.1" + }, + "names": [ + "dyall-v3z" + ], + "tags": [], + "family": "dyall", + "description": "Dyall's valence 3-zeta primitive basis set", + "role": "orbital", + "auxiliaries": {} +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-v4z.1.table.json b/basis_set_exchange/data/dyall-v4z.1.table.json new file mode 100644 index 00000000..07fb8a9e --- /dev/null +++ b/basis_set_exchange/data/dyall-v4z.1.table.json @@ -0,0 +1,128 @@ +{ + "molssi_bse_schema": { + "schema_type": "table", + "schema_version": "0.1" + }, + "revision_description": "Data from https://zenodo.org/records/7574629", + "revision_date": "2024-11-17", + "elements": { + "1": "dyall/dyall-v4z.1.element.json", + "2": "dyall/dyall-v4z.1.element.json", + "3": "dyall/dyall-v4z.1.element.json", + "4": "dyall/dyall-v4z.1.element.json", + "5": "dyall/dyall-v4z.1.element.json", + "6": "dyall/dyall-v4z.1.element.json", + "7": "dyall/dyall-v4z.1.element.json", + "8": "dyall/dyall-v4z.1.element.json", + "9": "dyall/dyall-v4z.1.element.json", + "10": "dyall/dyall-v4z.1.element.json", + "11": "dyall/dyall-v4z.1.element.json", + "12": "dyall/dyall-v4z.1.element.json", + "13": "dyall/dyall-v4z.1.element.json", + "14": "dyall/dyall-v4z.1.element.json", + "15": "dyall/dyall-v4z.1.element.json", + "16": "dyall/dyall-v4z.1.element.json", + "17": "dyall/dyall-v4z.1.element.json", + "18": "dyall/dyall-v4z.1.element.json", + "19": "dyall/dyall-v4z.1.element.json", + "20": "dyall/dyall-v4z.1.element.json", + "21": "dyall/dyall-v4z.1.element.json", + "22": "dyall/dyall-v4z.1.element.json", + "23": "dyall/dyall-v4z.1.element.json", + "24": "dyall/dyall-v4z.1.element.json", + "25": "dyall/dyall-v4z.1.element.json", + "26": "dyall/dyall-v4z.1.element.json", + "27": "dyall/dyall-v4z.1.element.json", + "28": "dyall/dyall-v4z.1.element.json", + "29": "dyall/dyall-v4z.1.element.json", + "30": "dyall/dyall-v4z.1.element.json", + "31": "dyall/dyall-v4z.1.element.json", + "32": "dyall/dyall-v4z.1.element.json", + "33": "dyall/dyall-v4z.1.element.json", + "34": "dyall/dyall-v4z.1.element.json", + "35": "dyall/dyall-v4z.1.element.json", + "36": "dyall/dyall-v4z.1.element.json", + "37": "dyall/dyall-v4z.1.element.json", + "38": "dyall/dyall-v4z.1.element.json", + "39": "dyall/dyall-v4z.1.element.json", + "40": "dyall/dyall-v4z.1.element.json", + "41": "dyall/dyall-v4z.1.element.json", + "42": "dyall/dyall-v4z.1.element.json", + "43": "dyall/dyall-v4z.1.element.json", + "44": "dyall/dyall-v4z.1.element.json", + "45": "dyall/dyall-v4z.1.element.json", + "46": "dyall/dyall-v4z.1.element.json", + "47": "dyall/dyall-v4z.1.element.json", + "48": "dyall/dyall-v4z.1.element.json", + "49": "dyall/dyall-v4z.1.element.json", + "50": "dyall/dyall-v4z.1.element.json", + "51": "dyall/dyall-v4z.1.element.json", + "52": "dyall/dyall-v4z.1.element.json", + "53": "dyall/dyall-v4z.1.element.json", + "54": "dyall/dyall-v4z.1.element.json", + "55": "dyall/dyall-v4z.1.element.json", + "56": "dyall/dyall-v4z.1.element.json", + "57": "dyall/dyall-v4z.1.element.json", + "58": "dyall/dyall-v4z.1.element.json", + "59": "dyall/dyall-v4z.1.element.json", + "60": "dyall/dyall-v4z.1.element.json", + "61": "dyall/dyall-v4z.1.element.json", + "62": "dyall/dyall-v4z.1.element.json", + "63": "dyall/dyall-v4z.1.element.json", + "64": "dyall/dyall-v4z.1.element.json", + "65": "dyall/dyall-v4z.1.element.json", + "66": "dyall/dyall-v4z.1.element.json", + "67": "dyall/dyall-v4z.1.element.json", + "68": "dyall/dyall-v4z.1.element.json", + "69": "dyall/dyall-v4z.1.element.json", + "70": "dyall/dyall-v4z.1.element.json", + "71": "dyall/dyall-v4z.1.element.json", + "72": "dyall/dyall-v4z.1.element.json", + "73": "dyall/dyall-v4z.1.element.json", + "74": "dyall/dyall-v4z.1.element.json", + "75": "dyall/dyall-v4z.1.element.json", + "76": "dyall/dyall-v4z.1.element.json", + "77": "dyall/dyall-v4z.1.element.json", + "78": "dyall/dyall-v4z.1.element.json", + "79": "dyall/dyall-v4z.1.element.json", + "80": "dyall/dyall-v4z.1.element.json", + "81": "dyall/dyall-v4z.1.element.json", + "82": "dyall/dyall-v4z.1.element.json", + "83": "dyall/dyall-v4z.1.element.json", + "84": "dyall/dyall-v4z.1.element.json", + "85": "dyall/dyall-v4z.1.element.json", + "86": "dyall/dyall-v4z.1.element.json", + "87": "dyall/dyall-v4z.1.element.json", + "88": "dyall/dyall-v4z.1.element.json", + "89": "dyall/dyall-v4z.1.element.json", + "90": "dyall/dyall-v4z.1.element.json", + "91": "dyall/dyall-v4z.1.element.json", + "92": "dyall/dyall-v4z.1.element.json", + "93": "dyall/dyall-v4z.1.element.json", + "94": "dyall/dyall-v4z.1.element.json", + "95": "dyall/dyall-v4z.1.element.json", + "96": "dyall/dyall-v4z.1.element.json", + "97": "dyall/dyall-v4z.1.element.json", + "98": "dyall/dyall-v4z.1.element.json", + "99": "dyall/dyall-v4z.1.element.json", + "100": "dyall/dyall-v4z.1.element.json", + "101": "dyall/dyall-v4z.1.element.json", + "102": "dyall/dyall-v4z.1.element.json", + "103": "dyall/dyall-v4z.1.element.json", + "104": "dyall/dyall-v4z.1.element.json", + "105": "dyall/dyall-v4z.1.element.json", + "106": "dyall/dyall-v4z.1.element.json", + "107": "dyall/dyall-v4z.1.element.json", + "108": "dyall/dyall-v4z.1.element.json", + "109": "dyall/dyall-v4z.1.element.json", + "110": "dyall/dyall-v4z.1.element.json", + "111": "dyall/dyall-v4z.1.element.json", + "112": "dyall/dyall-v4z.1.element.json", + "113": "dyall/dyall-v4z.1.element.json", + "114": "dyall/dyall-v4z.1.element.json", + "115": "dyall/dyall-v4z.1.element.json", + "116": "dyall/dyall-v4z.1.element.json", + "117": "dyall/dyall-v4z.1.element.json", + "118": "dyall/dyall-v4z.1.element.json" + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall-v4z.metadata.json b/basis_set_exchange/data/dyall-v4z.metadata.json new file mode 100644 index 00000000..df061217 --- /dev/null +++ b/basis_set_exchange/data/dyall-v4z.metadata.json @@ -0,0 +1,14 @@ +{ + "molssi_bse_schema": { + "schema_type": "metadata", + "schema_version": "0.1" + }, + "names": [ + "dyall-v4z" + ], + "tags": [], + "family": "dyall", + "description": "Dyall's valence 4-zeta primitive basis set", + "role": "orbital", + "auxiliaries": {} +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-aae2z.1.element.json b/basis_set_exchange/data/dyall/dyall-aae2z.1.element.json new file mode 100644 index 00000000..28cf1ae5 --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-aae2z.1.element.json @@ -0,0 +1,450 @@ +{ + "molssi_bse_schema": { + "schema_type": "element", + "schema_version": "0.1" + }, + "name": "dyall-aae2z", + "description": "Dyall's augmented all-electron 2-zeta primitive basis set", + "elements": { + "1": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "2": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "3": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "4": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "5": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "6": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "7": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "8": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "9": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "10": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "11": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "12": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "13": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "14": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "15": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "16": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "17": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "18": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "19": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "20": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "21": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "22": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "23": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "24": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "25": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "26": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "27": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "28": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "29": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "30": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "31": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "32": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "33": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "34": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "35": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "36": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "37": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "38": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "39": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "40": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "41": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "42": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "43": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "44": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "45": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "46": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "47": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "48": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "49": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "50": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "51": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "52": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "53": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "54": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "55": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "56": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "72": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "73": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "74": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "75": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "76": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "77": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "78": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "79": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "80": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "81": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "82": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "83": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "84": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "85": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "86": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "87": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "88": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "104": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "105": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "106": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "107": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "108": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "109": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "110": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "111": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "112": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "113": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "114": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "115": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "116": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "117": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + }, + "118": { + "components": [ + "dyall/dyall-aae2z.1.json" + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-aae2z.1.json b/basis_set_exchange/data/dyall/dyall-aae2z.1.json new file mode 100644 index 00000000..819d2b4c --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-aae2z.1.json @@ -0,0 +1,68726 @@ +{ + "molssi_bse_schema": { + "schema_type": "component", + "schema_version": "0.1" + }, + "description": "Dyall's augmented all-electron 2-zeta primitive basis set", + "data_source": "Data from https://zenodo.org/records/7574629", + "elements": { + "1": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29687389E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24571508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83382422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.00164139E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58629441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99766770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35902587E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02448897E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14691054E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "2": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34522333E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52200252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99840299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21385929E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67371603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09005872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97344735E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27228449E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.90416896E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "3": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35511989E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01233011E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13838273E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21730657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04340051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68402247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36667189E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17762820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.44368272E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82023810E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.55154907E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25548696E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37071123E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67290922E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19202868E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.47386748E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79497017E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.52550008E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "4": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40943779E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.54789411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16522522E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11703084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98836699E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08885657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68769158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04861275E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80904262E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86686838E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69265143E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31800101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96193922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.48448593E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84445860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02251455E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74948730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.95519767E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71217265E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.90653847E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "5": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31890933E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38381575E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13231718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83973383E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87378723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02925898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97389889E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61011130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27059892E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02704305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96312407E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25301829E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11445067E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50095842E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09574383E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81570551E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48912221E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72291541E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.46511210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.82389623E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "6": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.42995851E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25053402E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82743110E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96080882E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56825450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02650296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32774491E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.06582082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.65254808E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28879080E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20847835E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40303695E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77836858E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32153370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93710219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79198301E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.60203767E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84450359E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52361971E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45443262E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "7": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18811750E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75538845E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95938764E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11307086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58959691E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26367612E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66951503E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29793688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15279750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79915698E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72423049E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76179541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09319427E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29673806E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12932532E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93173563E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31750516E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00347301E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.26922465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25482421E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "8": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59925081E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35199842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29060079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48462548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78417313E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68559662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23711537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75808802E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90688830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39078229E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37104770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33409745E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45830479E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42797374E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51782600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24175730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72133105E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24505855E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17766132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30124445E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "9": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08122193E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04524252E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82912687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91245323E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15619638E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16954416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03372746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28806696E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91891561E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06490573E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14278738E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.12382078E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87382214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71665823E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95959041E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.72331544E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17227007E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58062230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61811961E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59945026E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "10": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63937466E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84039579E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58347380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39831047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70985719E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71659873E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00621973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88859221E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11904975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82176942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13403907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01356529E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34055004E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16482787E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45525847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37825292E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67057270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.25626434E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16640868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.40817214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "11": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67792806E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30926008E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18110639E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29023939E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05644880E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72817927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39450756E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79319847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75439259E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05162152E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36878648E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63828723E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32237456E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47741784E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51036063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50295268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08283663E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79319715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35313127E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65632696E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82262627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.51878594E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05385167E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.93760548E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96645265E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77612840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "12": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04215416E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61269535E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90202674E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27577646E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69320161E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01840839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31731851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45704001E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63556906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99737371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49554207E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07697801E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01639940E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34309914E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07387988E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81457930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49657424E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30731907E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94280859E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97272353E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70895143E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30355053E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89852331E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.18259110E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.88167943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.64065990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96440169E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.36156252E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "13": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22157890E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15957649E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54453086E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02795217E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24966679E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99049065E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07705104E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24983416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36586330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18932643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75866307E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.51081752E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17724199E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70038076E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26443560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95414963E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.98745273E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60395194E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.65061208E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11056456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00913311E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41539264E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59260115E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.60503944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93201508E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.27316775E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "14": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04052681E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45312628E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16940829E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71719057E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78191231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.85902809E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78633488E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52888958E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12846838E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50246568E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53084395E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29886769E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13172058E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30667196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65812543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39331074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.59974926E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24463955E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23477396E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95467725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.50710464E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24201687E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.69343938E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27082421E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73978756E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.00180146E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "15": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27817378E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76768640E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83218251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04954834E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33885131E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18038894E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52126521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81818021E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94970020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84448181E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39615003E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23961699E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.09756058E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85869276E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.91826403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78899440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00455314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82167337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48745844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.87903897E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12515635E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05818876E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.91044365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62994079E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69960709E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13423367E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "16": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54184920E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11164907E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54982671E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24071939E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93423320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38737228E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30098147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12522226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83532969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21651914E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35406263E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58029412E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10255140E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28066668E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.87268972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08585687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11045374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23339093E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66758667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77518751E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40320203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88040255E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25972350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02143833E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79833420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52442063E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "17": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83564141E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48976149E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33136839E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44747214E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.57469222E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60909254E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13372865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45295705E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.78828036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61928140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.40489018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95237127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15087703E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56419165E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05052504E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27850628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17457206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45062217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71836439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49194218E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65501477E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.68308242E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.76746292E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45212555E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.03155407E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97360252E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "18": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16279421E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90551539E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18297423E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67123592E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26420305E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84680306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02381594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80283299E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80955209E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05293044E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.55213131E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35714250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41458248E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94782136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13634523E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54180102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26478698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76934758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76329840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10804371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89399130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65180048E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13941141E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92464004E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.40546739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55513919E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "19": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23346796E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.78476932E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41007573E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74788004E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16599730E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05465044E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53274876E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20131036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63465610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.55018881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44042570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30864665E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25541111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36798580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.65017574E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73826462E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83258358E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03617736E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34142339E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31765579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67450904E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05335610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.29680817E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62260554E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.49320351E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46107895E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03419230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00020592E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45810706E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89189680E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33804190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.48574732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26087470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "20": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.34294030E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13143411E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67647924E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42972977E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37198760E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75488067E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79307628E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24040898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06589921E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.83698689E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99960282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02591153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26117505E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90013300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38002180E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62961267E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39371351E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23652780E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77429159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65134662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16262220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25001464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13409405E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00760068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36741186E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38755227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51056920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65373635E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63106572E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.77311934E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52194890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17820740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.60158330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32081131E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.61592664E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "21": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41738427E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41903536E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92827163E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06799578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56326832E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.40053480E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03153468E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.18667139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45940709E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10873565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53794521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18968284E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88489833E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34482262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99786157E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.89155674E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41560858E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15608323E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.81845628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58716811E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41994709E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85244917E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30219949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62543439E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89583018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.70145162E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.90398015E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57523693E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62427201E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.20758110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40858597E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.44899597E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82410274E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.53918207E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34806949E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67825538E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56595129E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "22": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59904355E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08220080E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20028703E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75260006E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76723021E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08559950E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28347658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.18272879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87263457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24079581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10726653E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36310175E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56585945E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.24167204E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28581932E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39409808E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61958016E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58601463E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11258571E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06151204E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60978595E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.65524465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63172933E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10063824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43368165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.67287916E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14829776E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.90178153E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29035248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.17650142E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.11099408E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11587274E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.82718064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17759016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25018784E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.63676263E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.94276261E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "23": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88945906E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23425746E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49284481E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.48400250E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98392083E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80999884E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54881562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02281940E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30549952E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37962197E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70502486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54357352E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26362284E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.08933533E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55165196E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93509383E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84096929E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04700751E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25192313E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56525911E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81103948E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50516525E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97932486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24507161E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98934917E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06109796E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37588688E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23466268E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90307539E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09812314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75717304E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36290735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.72656672E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46226594E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.01448724E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12966362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37468827E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "24": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13028951E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39955009E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80844948E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26777444E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21482853E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.57828283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82909620E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13287460E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76010543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52556093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.33261976E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73185288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98426107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91906655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80646451E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.47375746E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08104978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54076516E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40023428E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09946664E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02404678E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.40339167E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34548422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39626867E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56570418E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15351730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59284618E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55252279E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51062513E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27670271E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.39818271E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60665713E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.60393079E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73545369E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.73459660E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38970422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58091600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "25": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28370853E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57820120E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.14754996E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.10516328E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46032619E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39168162E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12476279E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24861157E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23713606E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67879038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99081857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92838823E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.73109324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07456911E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05540352E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00057954E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34126497E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06925595E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55796435E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66542088E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24923598E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.35147081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73085093E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55460820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16468603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24546143E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80219437E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.85565298E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12813486E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45797905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.04999995E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85361104E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.48547948E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00625150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43849501E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65856471E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.12155006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "26": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45118707E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77207145E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51309328E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.00232712E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72195739E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25460851E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43720718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37049897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73815093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83955383E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.68057226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13353205E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50648558E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15781677E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30156473E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05340213E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62313779E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63451752E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72556586E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26440696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48702824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03509040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13602691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72039836E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78768226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33743008E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00564974E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.14537858E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.76232139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64398947E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71964740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10661955E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.38284663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27876313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13998222E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.93871575E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.38275692E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "27": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63169276E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98061435E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90449256E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.95826795E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99949339E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01664042E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76620883E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49845945E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26291290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00793207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.40226850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34753759E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31195123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24219131E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54670077E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10603339E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92826743E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23865315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90349794E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89770932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73783918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14031561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56159224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89390789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43578317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42972100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20428236E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.42312876E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.41679402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83582327E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.41084226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36718561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.30218453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55517128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.84585800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23165872E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.69000695E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "28": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82911991E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20714124E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32667681E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09828082E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29530185E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11336562E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11380359E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63316080E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.81355257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18420147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.15694845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57067226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01489878E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32809399E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79211720E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15867681E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.25834127E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88385050E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09223050E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.56662322E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00208212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25096660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00810415E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07537752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.10989742E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52252236E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39880648E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.69081591E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.09375498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03413813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12580302E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63619982E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.24713618E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.83677235E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56019587E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53914356E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.98353350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "29": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03758978E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44746199E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77407344E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20655163E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60695703E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21497665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47798474E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77395399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.38806261E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36827462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94440489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80309215E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10183453E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41578813E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03854960E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21137538E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61513789E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.57239731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29224971E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27247632E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28017782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36718929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47612718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26503830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81083339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61595462E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58972602E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.94733785E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.79468770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23937001E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.86598286E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.91424038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02200580E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12440496E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.28503894E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84632713E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.99320662E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "30": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26747490E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71105177E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26192938E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32395406E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94321251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32412700E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86763519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92399027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99734993E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56276938E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07796221E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05767637E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20579026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51791203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33675189E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28306961E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03597448E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37444683E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52380423E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.08688578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.60076691E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50132696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01872232E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48276318E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.59036439E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71168243E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77340544E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.30540756E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.94217597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58060338E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.12281452E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41834351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22183430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85370795E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02189443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.29706214E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.66610901E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "31": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53393780E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01895586E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83285650E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46132080E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33631952E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45157280E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32161744E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09781232E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69253704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78236187E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17396176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39595177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36900330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01619295E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35445663E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34775500E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.12265211E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04125569E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10993408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11520023E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42424276E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85498567E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.69458328E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14658456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19940686E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39820927E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.51562571E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42967940E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23474619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.60838769E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29999784E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.07899106E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95065344E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.96231835E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91389544E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.23958680E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.93743940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.29394340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "32": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81751730E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34730369E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44026065E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60691681E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75135539E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58563409E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79749083E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27937937E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41654307E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01238979E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27489877E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75624900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54617527E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54786891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46052718E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24354100E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83184125E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17093418E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47659896E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24278408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.92665014E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06827795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66977158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55761073E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37832276E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93966317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.41712236E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17519380E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42828940E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.18532206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51670034E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.98781134E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34286056E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.62070416E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43551427E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.49176230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.64271290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.66656260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "33": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12433336E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70089365E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.09073834E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76195211E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19096180E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72695276E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29694027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46916828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01707962E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25284663E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38072306E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13706450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73598747E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11494199E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16970807E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08761420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60866375E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31073090E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86811211E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37819778E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.45796177E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29356558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69590458E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99224595E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57217638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59097324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05285744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85666170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63399733E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79699638E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74693862E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.95636942E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76398160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04220715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02713194E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00852340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.34798650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22852480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "34": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44182887E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07068138E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77244849E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92426126E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65024729E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87425360E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.81631156E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66608978E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09522841E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50346902E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49130743E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53761700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93762065E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71820397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40721423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92783830E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.41469836E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45355104E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26408063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51422736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.98886667E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51773684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07012630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42319557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77020284E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28396295E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27540235E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52657730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84809810E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43191300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98619765E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96442614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20429727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23191148E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.65720969E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28304400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.05326000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50752950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "35": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78958133E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47177995E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50617210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09773970E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13808262E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02984561E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36219834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87212821E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17667917E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76490147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60686781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95782770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15077460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35777194E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65871691E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77845230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22636816E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59529212E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65309949E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64692205E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50352075E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73373645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16494781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.83745152E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96737053E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00650311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50759924E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19952920E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07075719E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.09053896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23455412E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.01205758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66355605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43085343E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32158952E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59020310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.75853350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.79715170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "36": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14098736E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88473543E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26640299E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27776348E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.64418072E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19109855E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92722388E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08512335E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26083423E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03665991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72720374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39736984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37509131E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03394409E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92437314E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77589420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.01590791E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73131083E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02261944E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77201567E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.98507883E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93416011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25014174E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21990010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15741984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.74981830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74772323E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00089580E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25939509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.64569801E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44283436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.88093527E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03887103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58810227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.65251237E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97089570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.46380700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09744120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "37": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19635264E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95185268E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87418244E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46021632E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24593817E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38817217E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.97244830E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91561348E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82494503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34934243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47589918E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03412778E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91644514E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38934163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34534143E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39272605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.10622351E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51565722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19505930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18224075E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45122358E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26495929E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73849877E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13038413E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.77048619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03822935E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19282693E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.04398842E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24056742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.58812594E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21889631E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86157791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.51249400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31308269E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09882700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35878058E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29313328E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83857959E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92346311E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15468718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33767148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81807563E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96570358E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48160781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44919987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31308269E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52240840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.03966290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "38": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33040464E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17820441E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.36769195E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58723283E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61892389E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50982015E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.40460883E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08024771E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48931577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63023306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59909815E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.61625372E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19274323E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51773615E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83906209E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64914458E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23945441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18364589E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57654590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52582726E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29762764E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28224421E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02905846E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59644277E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.97247387E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43302328E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34278617E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66766122E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52411443E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10542882E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96103740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24113841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08239113E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08061783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52552630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.22782563E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22690315E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.20377592E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33267649E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27365286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79046900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01243698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.85648167E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90027701E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64080283E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.95251237E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35481100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15773688E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39193424E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.81702130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "39": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51842146E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34580477E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13688574E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92930297E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.68989746E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87248835E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03524133E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.00315190E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64061162E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05650418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15892518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44957297E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08536580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97252838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44898648E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04562563E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80277639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.34352146E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70326798E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73835672E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73333957E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22087305E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27720241E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98850649E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09676947E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75599727E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46425247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16902439E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72251797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18146007E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30786688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41592236E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.12078845E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55157071E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80675520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71911945E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.73390897E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.36710384E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57343871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.94444107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51444951E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12376257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.06201960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22752100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.28852074E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86905339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.90967784E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46121560E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.70596370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.43324450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88717700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "40": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66261600E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64491645E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20995401E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13019791E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.30426785E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07789483E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10935086E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28841698E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75662621E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.55065637E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37750324E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54867099E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52391836E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19319747E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55882526E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.51594466E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05021335E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.38422853E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17692628E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71573813E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06051300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69645729E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53147576E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38593352E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19646443E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07670469E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58409616E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66133225E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93713975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27646908E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75536584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63404421E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01538082E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98177907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72340080E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95586643E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.91003473E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71428443E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67337655E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.32101374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67571344E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19744072E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.41600488E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40491557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.08048315E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.27333380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06070111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.10258546E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05908110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.72998380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28998460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "41": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75878601E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87797865E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27031186E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30099485E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.83524153E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25713585E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17439194E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53964221E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85903130E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.98781914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57161560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63730199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90587683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38223133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65292999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.94367647E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27730375E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02475501E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43062316E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33718011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94903608E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98772656E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73329804E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69730148E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27334189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32069799E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67419731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02724192E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09462199E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34448574E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07422990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78865734E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10651536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36702129E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.49875377E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14810912E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12071779E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.54435959E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62392007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.11852315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58277942E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14795285E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.16345120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28354886E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.75540311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.11593617E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.81660004E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63157726E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15100570E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.49721600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18902490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "42": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83058379E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09275156E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32985625E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47536507E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03889211E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44671709E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24388723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81010769E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96991676E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46322794E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78328455E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73406997E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33230130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59526073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75941755E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41776411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52952040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13033758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87015435E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96270368E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13525164E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.35953646E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02212236E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.14151971E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38269223E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66755743E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80248048E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55015578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32114883E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44360139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53847361E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01093462E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21059204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78587598E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02636224E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33412455E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.36260070E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.86959636E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71727603E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46816981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73102912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21406955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46937997E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42362611E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.61420781E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.51157705E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13119386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00855334E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24615120E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.75480140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42226160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "43": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98243832E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.42123393E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41263189E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70748734E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11076583E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68873582E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33152391E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14789692E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10727535E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04760483E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04122752E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85077975E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.86079726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86174507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89190567E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.97460107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82476337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26456928E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.57723601E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00970508E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81047930E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01264534E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43124287E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76707871E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53562355E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15073580E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98090543E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27831599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63804352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58508516E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.20043622E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32951159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33497729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.26297210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10644282E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52385001E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.63039077E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.78961567E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98128178E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.47599886E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16801898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42034118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.47562051E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93085911E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19846284E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59033189E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56831772E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67189943E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.34456760E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.02895210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25818730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "44": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03812002E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60075871E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46399959E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86025726E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15963951E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85647285E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39296584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38641833E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20474722E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46440287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22680281E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93597275E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.21597041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03495589E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97916502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39892076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05221322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34939869E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76530492E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.10344257E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46272683E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00293551E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68472206E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.14839154E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62679393E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43300979E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08323955E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.68799503E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81212317E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65843297E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.54355943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48978870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42811912E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.64580269E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17028266E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67067178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.81059274E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.59575079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92507537E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.24651393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06142742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36211805E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15577688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72493206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12938004E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.27349293E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42057850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.71824286E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.44647510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.33445740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90509460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "45": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14936331E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.86698984E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53427142E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06218571E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22303683E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07153699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47111213E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68792157E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32733027E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.98585898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45732886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04076251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67384737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26205521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09269667E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90764050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32319952E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46482930E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23436678E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65759476E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62654771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03619863E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06381666E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.71821328E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76291546E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85501053E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23674234E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.30649259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07796729E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77495679E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08816346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74867630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54256489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09194240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23961866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82710925E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.01980415E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.00795941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04262319E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68700502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.24883913E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44674853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.55265587E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90038094E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21821316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66483823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56775396E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.07020385E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55166920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07042480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15634700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "46": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22501375E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08868563E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59711213E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24932399E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28307222E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27805318E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54687128E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98222613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44757500E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04992384E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.68502068E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14462761E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.12558043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48566335E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20501797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.42145888E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59740257E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57990828E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69465867E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02031854E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77422908E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06570413E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34041481E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12852956E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85908587E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.14790185E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34157570E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.72179934E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25277199E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84788802E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.42960080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90097246E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63382283E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.47089065E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29882932E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95406796E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16997713E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.92813364E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01911419E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.58423647E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.19806432E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41645414E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.37983417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74495340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13953861E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.25395601E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36462187E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51330599E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.66107850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17179810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67287260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "47": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32627709E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34385212E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66641639E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45181262E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34729495E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49717156E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62672078E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29062147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57293165E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10320078E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92032862E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25155782E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.58786723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71375422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31948630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94563972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87663809E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69830415E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16532998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06561021E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88743699E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09055856E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.93286699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.01125787E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06723381E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78726782E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57290096E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06527175E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65430862E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02833211E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27018045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31021780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78478971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02501633E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37585114E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12471047E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.41584638E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.92098491E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30197607E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.65820960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66241210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63442311E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.44068013E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30023570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41018351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.49023252E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87410030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79706341E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77308350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35676380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.70459630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "48": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35489719E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53264160E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72999067E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65687576E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41634628E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74258706E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71890494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65518177E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72396068E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16836154E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.21120410E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38463001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02064111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02571146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47549182E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06064166E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22885632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86296961E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03171999E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34596600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79366275E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34478577E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58689516E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.97835528E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29254070E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.47251192E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81904394E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16389591E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07928428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22257361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01643302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74039724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94121095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.59796223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45505666E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.29142644E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.75600504E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.90961058E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58204098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.71801469E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11992952E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84928640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.48920451E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84396304E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67489881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.71986470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39125379E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.12080159E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88859610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54575320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.86147360E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "49": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47385919E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.84746953E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81845148E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92160052E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50183486E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03830604E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82783592E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.07947323E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89756257E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24246788E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53880248E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53316236E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09014545E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37405939E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64745385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13185663E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60695039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03797049E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.97637569E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70387417E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30363231E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99791250E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52811632E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31102862E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48315297E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69249982E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16342890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50226953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08979898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96529293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24311921E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04552603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.93647170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08406173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.38431026E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88292155E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.50115276E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28549670E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21604575E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49566731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31845522E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.62844092E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57312214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20908676E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75825571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61040238E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12466116E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51079303E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50882920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.37084690E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00765790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.72896180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.81789580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "50": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52454474E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.06913583E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89030230E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15164594E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57917873E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31299541E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93090892E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48643551E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06581053E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31489101E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86133042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68053609E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15960596E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72055564E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81847965E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20444518E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99464606E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21813817E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96628933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06852767E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.81075870E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66623380E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75024680E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62827500E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16829182E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88575085E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81964315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75536358E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19641083E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44395323E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47637780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15612755E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49201008E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30932764E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.44728464E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21380094E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81775450E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87074110E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35467891E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.88072853E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46260893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.24965159E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86563738E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35268000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.48705608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97708822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30747793E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.38655350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84430760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.09867920E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13029980E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.96599480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.27041910E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "51": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.63134065E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.36845994E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97735147E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41778775E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66635891E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61734474E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04366457E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92710090E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24642723E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39205923E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20277009E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83575206E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23269536E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08236360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99592243E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27965036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.39705264E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40357154E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09988836E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44704564E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36768848E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27250760E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00137952E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98583849E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93385476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09933878E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53837270E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03065872E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31189362E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.96180158E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72946125E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27429080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07654083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54816358E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06056905E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62801937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28808970E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39100260E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49993943E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28185737E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61218619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.89311912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16808458E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50116370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.24046742E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35932073E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49989506E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.31672285E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21234800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.98754890E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25657800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20302790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.85180770E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "52": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60876438E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48185531E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02935319E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60649984E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73423633E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86865858E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14064360E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31765178E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41026858E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46339902E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52363087E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98384036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30289566E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.43051359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16829645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35535279E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80430789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59330173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20660620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84056038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09830964E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86945480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26468078E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35991490E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72803459E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31840208E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26824561E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30800651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42756809E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.47839168E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97970683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38969575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64134641E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78449372E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17847600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06494951E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.81746816E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81622530E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64872625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.69035378E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76389881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.54443007E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.47355997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65110620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.00141748E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.74770432E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69671413E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.27350979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59354130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00387500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38649780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.44006100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04949990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "53": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76716569E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85780213E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13271716E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91444786E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83355348E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21146979E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26645336E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80519941E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60858100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54755208E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89378471E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15140312E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38182652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.81673701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35643795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43531864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23366317E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78850745E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31752658E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24888716E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26580436E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.56490070E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53817535E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74699676E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.54270467E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54055332E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.00086660E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58408502E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54196337E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.98648702E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22303175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50109163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.18477925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01682750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29734703E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51707219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13965453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38228330E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80142819E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.10725112E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91813939E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.20523022E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78288870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80291432E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77223438E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.14272362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89787537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25505789E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.98523850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23237630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.52007340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67709400E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21693500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "54": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79578326E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04292743E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19959406E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.14117878E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91258945E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49876195E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37589185E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24138595E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78988485E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62580877E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24292309E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31147981E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45745038E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18803328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53927479E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51571648E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66704355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98773483E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43153305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67400732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44011855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38533710E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81773747E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14212882E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36856349E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76346063E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.72894041E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85623880E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65397231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.48094176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45694513E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60788107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.70648406E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24418792E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41638808E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98205340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30222232E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06211830E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95959651E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.53672740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07645956E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.88217231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09925340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95816201E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.56107055E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54825152E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10524778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.27044060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39242330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51288890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.65732440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.91412710E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38446680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "55": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68419928E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18980184E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13233512E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26210348E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01195802E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05703979E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96053805E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56998282E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53680880E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84080566E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28172758E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97552533E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85230780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28932128E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44333030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25379732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50895198E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71419575E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18814233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54643756E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35368647E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88057238E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30668254E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65874195E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22338533E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68794750E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60395294E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.11403691E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76882809E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99557987E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69836616E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56615246E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77727290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24808163E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83470957E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70830478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30927539E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31972955E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98545497E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38364515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70307672E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76200270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.78294801E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70563336E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09816303E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40892555E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16459539E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.09062810E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28015640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.75322604E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.50712635E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15941202E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05894267E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.08524294E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38315250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06776607E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09235869E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30561828E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79834232E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.22075552E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "56": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69135026E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20875112E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21908096E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.59870904E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.14098597E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10732938E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16265510E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65400398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89819498E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00136666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35519711E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32015031E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01640318E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36783470E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.85138447E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46582573E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60287514E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22436037E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44204041E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69301170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08378872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35433888E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02287926E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54603122E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94599612E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08247188E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.55049701E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.46016392E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04569860E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71527558E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92423617E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38387377E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10641287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39076086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48896961E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03626404E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47797558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.28441861E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43669317E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60818329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73292126E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32371109E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00957254E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28336771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02508389E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13913448E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37019409E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.64271343E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.48233394E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06158806E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.90999707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.35781807E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16020581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.61444245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65873229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20882023E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79742212E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61936729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.53099028E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60275595E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.94310315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.49334865E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "72": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87243620E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41747200E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23014121E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37667402E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81866404E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78398974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.94599764E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82709032E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19770887E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26033100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38671918E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11515966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33408344E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46789234E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23689284E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32869178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06199999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59522134E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05539380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44481225E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06982592E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76938206E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.15394996E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58677096E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17924284E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04973289E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97166590E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23354351E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13115701E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.37840415E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23196460E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24680285E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24178262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34433429E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09434670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15964591E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54996328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24423228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.03368783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85383465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08167322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26117130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.41138698E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14783426E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.74161471E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23277679E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87119865E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26122724E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37529808E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25369758E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96118835E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40215822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.50211299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.85832931E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01462091E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.36693168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.61593723E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43300251E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33440437E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.91613381E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23907453E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43875053E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.45958282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.80705282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12799602E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.85475487E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11953270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.14482820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "73": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90224267E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43339132E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30499750E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40860425E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95238995E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83972935E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18138995E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92828894E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24216699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46007117E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47848878E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15823580E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54014985E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56744236E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28747806E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.59273050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18979924E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66340117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37889068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62115576E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14561827E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15254061E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02452703E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93051986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23819798E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.41609118E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.54185323E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35207978E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42422983E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02081615E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49791299E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34225135E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61859909E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50410598E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16580274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48814775E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71166732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32915558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44144291E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05646937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16517745E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.62120027E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02664742E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36038552E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.78970209E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39750237E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.29704239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41266965E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43817485E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.54023040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09895688E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47017949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.83553925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02518574E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08755428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.76593302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12421518E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.98169116E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58359409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.76728716E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.60567724E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61180870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.32100976E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23704754E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33572913E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.74766339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40593440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.73012670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "74": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89486040E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44070221E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35631737E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43373452E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06548025E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88892006E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39513348E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02204600E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28397456E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65005292E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56656019E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19988485E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.74088445E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66527833E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33720973E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.85279739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31821033E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73209945E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70741883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80272419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22469783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53733588E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12566398E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23961480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30393331E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.79971658E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.14887720E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47921399E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73960360E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11009280E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78314170E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44416267E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01916443E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67337534E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24137402E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83671290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88291858E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41881361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86533841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26623219E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25130227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98501311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10731145E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55460066E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.94622170E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57423197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.75233417E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57425265E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50519306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.84571992E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.24602555E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54322894E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.19626846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20850876E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17362261E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17928550E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28319855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.46707744E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.82322994E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.58440682E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.95772430E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77787614E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.14859992E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.65176667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53726808E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.61430649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59256210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.32737660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "75": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88559525E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44706943E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40419732E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45778202E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17541137E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93723958E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.60666531E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11531516E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32571409E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84018438E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65484404E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24168515E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.94265499E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76384816E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38725713E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.11444138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44881047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80205937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.04250506E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98997023E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30707491E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92741908E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22193649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52759578E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36930257E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.20757048E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80267194E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61694479E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.08211391E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20700434E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09173362E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55391672E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44861897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85423872E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32199249E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.21064318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06617748E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51454548E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31041930E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48552798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34048666E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.35588998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18513934E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73670806E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.12758458E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75641127E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02198342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.73969296E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57367949E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.15750058E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39607822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61776843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56543559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39798385E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26490901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59750744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44037681E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92458249E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.05940194E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03883228E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.30377829E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.94095450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.96137545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.06003639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73647706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.47139292E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.92373800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.93607990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "76": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84125258E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44503814E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42839448E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47483755E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26379383E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97863824E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79516346E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20067941E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36467232E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02031757E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73946740E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28213126E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13960173E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86093142E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43663912E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37357275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58020956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87262460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.38274099E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18205804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39266806E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32460823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31531302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80245999E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43335741E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63097397E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.49564321E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76435825E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45053728E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31139044E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42347769E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67147514E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.90685097E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04668433E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40769039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61104476E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26176937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61640026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77606455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71420645E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43272601E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73510191E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26131810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91026232E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31428533E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94200435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06942094E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90704888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64280669E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.47164194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54714283E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69269087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.93709403E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59028324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35907036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.01883704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59699321E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.36773438E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.29395263E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11858306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.64688740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.10266663E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.76801688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.46633266E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.93549267E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.32851638E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17768010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.55613430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "77": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86240443E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45733454E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49087581E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50308248E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38751186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03189396E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02552416E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30144272E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40949280E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.22342920E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83333232E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32637599E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35231652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96450409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48905039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64707995E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71687305E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94587421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73252373E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38075762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48134344E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73039215E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40696570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06848198E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49613612E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09940639E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.26349664E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92779539E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.85880292E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42681909E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78873895E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80021216E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40603962E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.25551719E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50051704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04777000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47383843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72631715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26900882E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95518753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52857591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.12544673E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33700784E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07844370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.50283372E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.13017941E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11732959E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.07553432E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71223925E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.78654744E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69841212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76754303E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.30876302E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78391760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45512934E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.44288137E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75374449E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.80308682E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52899412E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19840640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.98999182E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26437753E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05750412E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.87368019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13564606E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.19145346E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.46251920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.01876050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "78": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86523222E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46509179E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54024629E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52743078E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49936115E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08144309E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.24407556E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39837555E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45305725E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.42240054E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92583522E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37018241E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56384276E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06798748E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54143442E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92090504E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85527318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02016600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.08793459E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58422757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57298428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.14480876E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49761303E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32813552E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55796681E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58812096E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00793453E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10295974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29831050E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55123428E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18167400E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93817750E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93881697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47772944E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59917370E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.51490188E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69898833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84212154E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78007220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20472312E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62738023E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52530577E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41228970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.24167938E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.68917500E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32044309E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16558301E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.24469348E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78178267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.10128713E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84941157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84205784E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.67894135E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.97790975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55252941E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.86934064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91099852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.23450255E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.76572611E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27871037E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.33480736E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.42690393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13864676E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.28400791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33781163E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.06397634E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.68636660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.08306210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "79": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86641871E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47205722E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58655973E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55076534E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60812627E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13010156E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46022108E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49471948E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49650967E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.62133979E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01847450E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41410537E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77622614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17205973E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59406918E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.19614087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99569716E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09561152E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.44951963E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79255281E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66761501E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56928335E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58858219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58685362E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61949986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09851036E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09449144E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29019969E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76987962E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68483838E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60271592E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08541062E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.50485039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71300001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70343965E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.01063283E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93569179E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96270954E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.30521856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46130136E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72888592E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93419480E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48736933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40065837E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.87146054E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51257515E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21412561E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.41432592E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85135061E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.41544342E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.99992280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91611025E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04686529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17163911E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65092857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.29799134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06895064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.66372984E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00441892E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35960199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.68188195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.59058138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22043037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.69842522E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54253879E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.94858020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.05376020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.14853380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "80": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81789967E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46710856E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59876991E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56383633E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68471673E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16831854E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.64143439E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57904821E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53573459E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80514197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10564267E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45606171E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98194852E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27448739E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64619814E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47070334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13869210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17300519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.82788094E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01282867E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77097518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.09487289E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69475032E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90513996E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71176372E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66143432E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19297811E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50675102E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32093964E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84199043E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09949117E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25926161E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.17326364E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99115070E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82712699E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.60479214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21475712E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10334669E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89786639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74702233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83719031E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.36726823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56557324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55705435E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.01127314E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79968951E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28668689E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66880202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95626062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.89419813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.23148375E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03451499E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.63959419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47359426E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80241774E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.01705130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36689729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.49018613E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.24155820E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43982705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.02529845E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.75231004E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30107081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.10672932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74486516E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08471151E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.40593950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.21519160E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "81": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80338285E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47025619E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.63555754E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58527398E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79246257E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21879438E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.87307796E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68480778E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58432979E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03105139E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21218877E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50707828E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23010621E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39805146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70939014E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80173226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30162250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26098628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02665686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26482246E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89889444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84613719E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01065745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.32370907E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91277590E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37282646E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35721283E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23566782E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36290763E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01480894E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31820210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78798622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90284415E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.15022877E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69676016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75043773E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.44562670E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20432285E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11720749E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01075987E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90314928E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96328877E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.05496991E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00496286E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.59278837E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14312810E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.80668020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53461202E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.01015229E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75502849E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71843268E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.32163373E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17508976E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11097058E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05041178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.14706485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34214699E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03451933E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21552202E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50267783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10356480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.89995595E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.66331967E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.99800850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.21750898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54175772E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.36995778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.40866133E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41384687E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.52629430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.28332740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "82": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78790468E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47277856E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66980788E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60593717E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89847781E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26912673E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.10631045E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79208693E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63391338E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26252891E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32169850E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55964749E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48637891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52613276E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77504674E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14632745E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47101722E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35272879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07214573E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52715061E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02746272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.62040984E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32944034E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.68598864E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50419700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44315847E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50743314E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60444246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46372787E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31579089E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41524402E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.12587435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03021930E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66820906E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92148422E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85356353E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95192825E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44857645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24228444E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06751765E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.19177307E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09083067E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.71717990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16745290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58254189E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67280720E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06108755E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73011313E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.67314733E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02389437E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83970261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.91221384E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47577918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27108628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13491680E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.59531052E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58639830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16289182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.85219166E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75459932E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.57726240E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.20138448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76510085E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.43430142E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.42407420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64610261E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.90770330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.68433522E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54783108E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.60408710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.35278400E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "83": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80226841E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48197988E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72238743E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63218333E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02327402E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32625999E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36570190E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90989196E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68788402E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51276737E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43938033E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61581494E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75851541E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66121900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84400480E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.50651171E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64662683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44772899E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11901610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79784882E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15870772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04226135E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65908662E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00734400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00281800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52678508E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68636941E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04560600E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58483354E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67858698E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53250769E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53455235E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18424309E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.29423926E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19320068E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97851207E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.56967864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74356303E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39296309E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13516041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53461227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24108719E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53174998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48293103E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79158225E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13172090E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14563420E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93479123E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03643045E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30323545E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96540411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.52357533E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78674481E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43647577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22239217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.06071971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84128694E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29733557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52008084E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02232067E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.96834540E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.51023047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86924359E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.88015411E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.63519861E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75278866E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.45836180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.96752275E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.68654417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.67301970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.42364120E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "84": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83099270E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49430679E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78316183E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66076999E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15531036E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38575062E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.63301741E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03038171E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74276022E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.76599981E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55802853E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67229646E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03189111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79694900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91317460E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86768775E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82455671E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54409112E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16672459E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07428396E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29230811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12470444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99794160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14926500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47359520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60947307E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86516751E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48913936E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70700193E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.04504867E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65086424E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.94571483E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33841649E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.91719770E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46207589E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10147178E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01715388E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02831330E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53679474E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20014535E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.86779855E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38995036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03602518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82313749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.04113582E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56072960E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23256609E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14433523E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10687289E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.58688520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09270647E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01414646E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.10053207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60297016E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31054355E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.53090018E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09916893E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43365559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.19815647E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29483247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04070040E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.82612869E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97561084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.33493584E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.85056868E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86165214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.02103234E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.25765078E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.82952431E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.73526070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.49589680E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "85": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84244092E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50209341E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82965478E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68476525E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.27250219E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44042340E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88469174E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14580280E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79601077E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.01410800E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67511528E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72833709E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30437479E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93276071E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98241093E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02297017E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.00479865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64182357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21526000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35636699E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42798951E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20909391E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34586720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29471622E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92682630E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68580977E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03531193E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.91745658E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82596030E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40346837E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76678260E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34774612E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48856435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05207443E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72117514E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21927629E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07421196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29690220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67152734E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26155116E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.18686221E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53471710E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11839341E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17263922E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03102418E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97478160E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32162902E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35817578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17845424E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.87406344E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22124347E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07639309E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.41610092E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77000451E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39904848E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.00395005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35866386E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57110943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88260345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56992818E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09389180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.14902927E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.08417199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.79848050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.07008509E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97263216E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.59533206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.55444773E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97652644E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.78194270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.56955900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "86": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68476598E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46794059E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74912556E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66787655E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.25170530E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44681432E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96160398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.19595350E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82417354E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.16322270E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75224966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76799035E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50979574E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04118111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03907122E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05354324E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17227450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73375318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26282083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.63534680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56553897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29475083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70279586E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44373172E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43919450E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72824122E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15641728E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.25282723E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92412503E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.70898829E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86765023E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.70190435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62169163E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10574454E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95179408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32404364E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12459428E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53557248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79136374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31728352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48261416E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67263353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19863600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52585561E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15893147E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45578300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41613025E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.58429411E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25385658E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.17561771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.35591634E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14150621E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74581199E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.94435853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49162359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.49983429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63156854E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71598621E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.60663337E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86675318E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32356920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.47900273E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19493865E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.27081990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.29375191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.08572780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01812229E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.85784113E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12743536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.78889640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.64463130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "87": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69630961E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47558891E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79624375E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69317756E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38004941E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50854751E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02530484E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33247507E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88833063E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46686777E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89744796E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83823557E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85366034E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21553074E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12904353E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10053812E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39654059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85668194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32689507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.00408107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76305078E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42154544E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.37356599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90085430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82410150E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02896085E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39926505E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14802745E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23329240E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40212227E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06185638E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.91488445E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.84782509E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92886180E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05235754E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09333750E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71239751E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.62025844E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56063114E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72502876E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46581820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32526640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19919582E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10856262E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61918066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59914486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20920922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18671296E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58679899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53141920E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64324832E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08516860E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36577524E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54755674E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.89833144E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35839627E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.59356427E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54268509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23206033E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.20574287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18981161E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62413605E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21563086E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03627378E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93090740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.71728483E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43448617E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06983930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.41664157E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17267788E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.16350256E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.23759816E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.05140277E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.97658782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.73487106E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.06508071E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.72116740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "88": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.67637283E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47473626E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81458493E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70814693E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46988075E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55558345E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04868766E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44572527E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94280377E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72914089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02452913E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90036868E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16102724E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.37236561E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20994006E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14300942E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60735235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97245603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38736287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35650255E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95126588E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54167596E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01211866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33055832E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.44820730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84469094E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04973308E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35340776E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35291535E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72784723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15414820E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19411807E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74623317E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23449668E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16213192E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.51126394E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88174375E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.35008097E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89178526E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88234555E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.20490997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67705333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37185370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18258839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.96621348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71455800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26297704E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87116998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00470111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26698430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89898944E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89168347E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86647304E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68317969E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22106331E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46531752E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01921002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73236053E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32378229E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.67065795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43712613E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75771370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.93708340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.44169368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14602412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.83370577E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98910725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.48466962E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59010654E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.74557142E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.28282828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.63247773E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.45934069E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16335598E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05563161E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.03560248E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21537389E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.79916930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "104": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43776608E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44112314E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86780367E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80660109E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23637052E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02144579E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30614515E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78823343E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62410875E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21358422E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72036231E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74633423E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34348495E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.58373577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35613787E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75784000E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.00473702E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83954721E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34553142E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30539546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92450208E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12046322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13245906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15527786E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09775767E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20892655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54558300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42530284E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19326116E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23363541E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66668479E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13560768E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26609116E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61497270E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.95895657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02149447E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72024978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.74341517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63918740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77154011E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.93304316E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60633066E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31437267E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21213084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81687564E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81325755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10116802E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53081283E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41490828E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90381015E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02264450E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.36244094E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.11206481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71167072E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08159684E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.80816280E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29844293E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14964130E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.91677650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04593460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58135035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.07766975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02028359E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86433253E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.94567782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43406338E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.47158437E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.77944187E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05966202E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.54997022E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49176136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.92095969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37084259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67222944E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.23133872E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.90180233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73765689E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.02848600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25986687E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.74287040E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.22931916E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.44852960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "105": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38980770E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42917273E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83246033E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79660736E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.21725563E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02410234E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31235182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83701838E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65497953E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23131909E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81762169E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79841418E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37129782E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73599825E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43765231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80234159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26368064E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98453108E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42367263E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35183359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18216293E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26689294E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20134888E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54625552E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25128690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73134170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70027091E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49981840E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47528186E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32977141E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.99648640E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25122614E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.68198699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76864629E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05433868E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25174078E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81499925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.15239545E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82439878E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86634039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.38405940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.83279431E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42157649E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26816737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07937011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94868590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16339869E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81685127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47519910E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10240428E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65334349E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.52006067E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.47295248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82523166E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12455257E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.99149705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38366061E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19155392E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13198163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.15871218E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64192841E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.40642943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19705777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96202621E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.44952529E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71084979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.64658582E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31497973E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16487050E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89649759E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63907961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.62191215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.73375839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86568774E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.30608432E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.48750926E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.04739355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.59070815E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00657920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00560300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.33010001E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.68889750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "106": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35457160E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42038613E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80629769E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78908860E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20276833E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02628125E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31733990E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87641358E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67999728E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24569500E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89639608E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84064438E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39408614E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.86372381E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50703666E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84095366E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.50202800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12018661E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49918732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39704918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44093845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41440849E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27145724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93279077E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40064516E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23186239E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85892403E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56469499E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.73702922E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42137713E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31583532E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36438412E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.09199260E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92084499E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11234936E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48023335E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90880752E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.55585695E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00627339E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94642941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.76826570E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02641205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51584550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31820471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32330727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07671723E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22495208E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09437648E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53447241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26939117E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47478640E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68622454E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.85285568E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.94450425E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16956213E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18322372E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47264343E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23527553E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.35641910E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.27647519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70521073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.75096102E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38292571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06578323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.01155450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99021849E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.77565490E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75262874E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26397633E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.22192761E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77684551E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.27686079E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.07237915E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.04611174E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03043416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.03521945E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33988257E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00838060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.70829815E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20361670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.43230656E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.93110680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "107": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35507027E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42096203E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81119463E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79281032E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23213634E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04642763E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33004164E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95005647E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72065853E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26736090E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.00960469E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89920235E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42453388E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02677528E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59352881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88793509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.77078898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27077928E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58001806E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44518524E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70497740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56714132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34341918E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32066161E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54841657E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72318509E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02078933E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64627625E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.03618643E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52304015E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66526409E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48719085E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.53449741E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08438764E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17442208E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72355251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00813869E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.98047401E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19645910E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03619418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01941261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23942117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61849525E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37230328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58445536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21433762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29071547E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.38665291E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60340451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43052815E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36559716E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85490615E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.23775108E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06498329E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21487971E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37570307E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56174264E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27896664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58024740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39371084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76820146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.09330790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56779144E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16975636E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.58625839E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26583722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08697774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14849756E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35744006E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.52790127E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90587875E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.88963896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.38843044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21435319E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12322035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.54647777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.61453156E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14948649E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.36150229E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36277810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.53594093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.17537290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "108": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33210010E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41526206E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79441748E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78820631E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22672032E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05154593E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33613628E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99445618E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74827170E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28314375E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09598308E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94541486E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44932608E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16455784E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66801926E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92898651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00227500E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41433178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65930879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49266600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.97071717E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72158524E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41716364E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70970687E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69594216E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21167181E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18588372E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71337198E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.30602203E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61823444E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99987855E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60655850E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96907275E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24613275E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23607445E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96560647E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10687823E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.40159925E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38444101E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12451766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06126490E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44838498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71984570E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42584595E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.84538912E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35280046E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35754972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.67905360E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67224568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57730903E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27123196E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02425855E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.62336266E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18530793E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25998307E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56666523E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64988073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32208375E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.80055277E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.50876210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82999098E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.42795824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.74849296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27204972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.16088456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.53675418E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19394440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.52235262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.44773097E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.82252239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.02968175E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.47684794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.69054316E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37503048E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21164248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.03493324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.87795003E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28540448E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.98520298E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54169620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.64101026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.42191150E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "109": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30946466E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40958618E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77725442E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78319576E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.21848951E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05512018E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34150131E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03571988E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77461638E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29843098E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18052032E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99097572E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47389632E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30184287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74243429E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96994383E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02771070E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55996795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73958264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54087461E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23972718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87921182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49315669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10375819E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84449475E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70330956E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35494229E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77896114E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.57459048E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71399469E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.33909475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72825992E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.41395171E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41214757E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29942595E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21417831E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20804024E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.83155630E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57554506E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21385916E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10347260E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65850840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82195018E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47977289E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10928205E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49348457E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42576968E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97363744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74151237E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71266594E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.18199117E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19397533E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00089931E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30526243E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30479138E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75576267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73689519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36454366E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.01687889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.62134659E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89041566E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.75385232E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.92434588E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37204884E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.73125526E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80314345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29894519E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.88184520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53635569E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.11089914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15051418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00493488E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.98446248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53125927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29750686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.51008289E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.13496288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41848229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.59300515E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70384250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.74751302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.67093060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "110": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33254315E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41589924E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79984265E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79245430E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26443215E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07977028E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35526095E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11112696E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81515762E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31972344E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29076929E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04764578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50329578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46015677E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82673311E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01574261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05483617E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71388497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82377597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59115206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51524990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04203523E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57169759E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.50574382E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99521117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20328724E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52918272E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86994832E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.90251766E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82590439E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72660471E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86537548E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.91044553E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59609860E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36919379E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48627065E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31805338E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02959628E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78053027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30900464E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14810012E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87943436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92883374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53597727E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38334820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63980578E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49634610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27534756E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81325893E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84149215E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.10008893E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.36384173E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03941689E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.42470712E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34925607E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.94280714E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82271035E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40631592E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.22912115E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.73143784E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94947650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00710469E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.09530918E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46947963E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02954652E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06534167E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40240866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.23177198E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62439207E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.39654991E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26988553E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06142996E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.27395571E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.68506385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38196370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.97793069E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.38861178E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55019791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.19294980E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86550310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.85544257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.92259820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "111": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32129985E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41313127E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79173426E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79031949E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26504373E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08591303E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36137419E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15480604E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84244877E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33542060E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.37700107E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09376409E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52797262E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59735023E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90090348E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05628673E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08046938E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86189612E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90654036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64086385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79291309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20681808E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65252531E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91412153E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14855732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71361327E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70864352E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94026210E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01874223E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92796108E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.09043009E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99664131E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03922974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77635232E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43800005E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75554568E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42701799E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07554532E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98286614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40259765E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19201098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09665041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03455711E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59167038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65717326E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78661608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56768753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57714537E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88398480E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95912697E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.01907320E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.53434322E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07800186E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54400666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39351868E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.12841443E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90761753E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44754272E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.43800115E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83939580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00734834E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03804576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.26181353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56430406E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08523916E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32348453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50448884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.57434954E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71244896E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.68148977E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38867118E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11758322E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.56118854E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.83760384E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.46567359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.44198729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64072029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.68146897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.79010700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.05238710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.96481792E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.17706920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "112": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27628405E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40133708E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75183492E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77517500E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20408639E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06113824E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35162724E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11720022E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82791692E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32972816E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35518513E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08595607E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52608657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61051354E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91261106E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06219260E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09447393E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95888420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97041859E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68158795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.06273324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36715451E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73867578E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.34970450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29903056E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22959771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90083815E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98896980E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04256771E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01899505E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.42691288E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12091660E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08559324E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95177966E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50548547E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.02084729E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53455319E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12087285E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18211737E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49451329E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23518192E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31016949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13913337E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64685833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93074448E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93382507E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63973946E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87916658E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95385072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06608715E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93886778E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.70596694E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11676755E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66352513E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43772105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.31321294E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99192247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48838236E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64440098E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94573523E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06431961E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06838268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42477673E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65674353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14018455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.57792462E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60543325E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.94466003E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.80084798E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.96677839E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50733614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17361771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.84736975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98953279E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54900287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.90406620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89215028E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81266297E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.38615637E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.24177900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.07562219E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.43450830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "113": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26564207E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39866817E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74422515E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77365178E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.21158475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07295461E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36171416E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18619002E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87076767E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35459317E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49347521E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16091577E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56640294E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82892664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03205829E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12975482E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13031738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15748622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08168254E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74596207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.40649632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.56996553E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83861196E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93962268E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57722155E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51258475E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83512150E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22950772E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14195506E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38548142E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07780748E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62617690E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27813994E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70083150E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80335129E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23642488E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04722041E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34609780E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.21238577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97454758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44471995E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.28158737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55970861E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84700824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78221533E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36436593E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80752239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.63569979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23571621E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49490045E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.20016250E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.11290116E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66859908E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39220281E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08768842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.08703746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28499285E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13339353E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10374338E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.81724949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06216577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63711945E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.52644077E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33515906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10433759E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.58005214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.99541705E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49209297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.23860200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29101515E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.29840881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.79894990E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.33836896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.05824687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.02169215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.96237638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.75970910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.14831388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.42948503E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03019500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.18788790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.69650800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "114": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25502639E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39595194E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73540204E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77067315E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20542815E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07470753E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36535866E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21737444E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89220455E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36768679E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56867354E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20255515E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58931895E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96091240E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10483800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16908478E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15644477E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.31209060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17161143E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80024256E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73072229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76363329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93814058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.54669754E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86374137E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07521373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21291140E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28248145E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16539717E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47376142E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11041385E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74684888E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32320817E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87108090E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86846501E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.48927959E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14764942E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38726175E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.38739584E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05193815E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48004065E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45062744E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63892502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88902011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.97228497E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46826548E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85130238E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.85413909E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18861843E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09423019E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29943290E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46077358E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74711158E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63264536E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17573481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.45254444E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45092382E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21401105E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14479054E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.03368457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17718763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70024067E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87166791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.52530825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.20707128E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01493811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.29553469E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61789962E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51817250E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35864531E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.51803345E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89101027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.77131238E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.27786264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13716351E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05894354E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.09611076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.32511881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.31317463E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38837200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.30161720E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.96240690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "115": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27716144E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40183307E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75524325E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77809769E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23967370E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09280864E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37600124E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28046699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92903043E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38838077E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68134579E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26243412E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62105900E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13470672E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.19940640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22127358E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18708746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.48872165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27179656E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85990233E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.06637472E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96566370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04003435E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01772027E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16405429E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20026752E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57013710E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34918164E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19496194E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58591482E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15223503E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90329429E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38232687E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09730225E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95623370E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.83558761E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28762007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44574490E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64103144E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16618543E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53305357E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.70867381E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76643092E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95553550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.30698171E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65188068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93992868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36628356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41153965E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02069403E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68164390E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.89160022E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84439609E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.93073054E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28492725E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.90628169E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.65712715E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31443508E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19601763E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.30468393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32158051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.77974545E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.31155755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.76967207E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34357067E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08804086E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66643181E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76404306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98283780E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42553854E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.73475164E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98163904E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.19700000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.49363423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25058281E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12049794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.42672660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49940949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01858987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79120220E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.41680860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.23224000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "116": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23395635E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39042308E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71663685E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76377617E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18589017E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07335338E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36970937E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26396175E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92750025E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39042228E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70288368E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27766374E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63087763E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20370801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24028714E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24257275E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20648388E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.61447606E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35432929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91090728E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.37631555E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15488955E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14108026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08035187E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47368104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32716064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90857190E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.41478101E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22444768E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69876288E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19459836E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06258118E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44274530E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32907112E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04626398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19071685E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43086834E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50538611E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89856467E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28166812E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58651064E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.96804421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89427462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02214028E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.64080707E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.83575422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02868007E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89231478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66801723E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.97707589E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02401690E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.35091124E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94803968E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.24777184E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40079648E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03866895E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.87503404E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42041207E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24999999E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58998208E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.47378902E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86358336E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.77729485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.02893584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.48933959E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16591219E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.05800523E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91490581E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.21776100E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49214833E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.95004732E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07147264E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.61846084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.70708711E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.36274420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18132991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.75382195E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67230702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10531308E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.18133820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.53346100E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.50598890E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "117": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25589660E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39622807E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73580777E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77055155E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.21438834E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08728868E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37769819E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.31102557E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95481902E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40571584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.78665037E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32284017E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65532803E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.34251093E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.31714084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28450220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23329160E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77383376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44769397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96687234E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.71913239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35865868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24658072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14580781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79419796E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45755955E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23551340E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.50079474E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25887001E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82527515E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24107592E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23497767E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50750108E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.57553472E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14132811E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.56301977E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57984955E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56686094E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16151398E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39848795E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64014961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22626489E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02034342E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08756913E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96460376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01432190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11448402E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.40561230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93186959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92968449E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34310560E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83574648E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05729720E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58130697E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52237884E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08894908E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.10258847E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53088086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30617020E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88645118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63215132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95080977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02633964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.29989718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64229268E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24755275E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46674430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07169726E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.19822830E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55874574E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.16482517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16090441E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00375884E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.91918626E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47415547E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24172009E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.07887380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84454763E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19184727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.56439300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.65156190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.78364000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "118": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24543434E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39342753E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72586931E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76655977E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20004310E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08342403E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37804335E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32550050E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96875536E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41569741E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84986815E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36021593E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67684236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47152669E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39087321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32521218E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25971789E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.93405284E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54206791E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02418111E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00527536E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56202638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35158724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21100065E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12227893E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59031719E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35402970E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56226785E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28729373E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93590515E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28310998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39439154E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56830707E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.80943914E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23217925E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92013696E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72283531E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62573603E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.41242740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50951511E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69104303E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47054959E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13905180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14933937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02679675E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18229819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19602479E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89384744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19468837E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.86706817E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70144270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34050542E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17092956E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.92742965E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64817876E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14081718E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.33672197E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64430103E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36373690E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.18993191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.79447993E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04023819E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07633686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.57883329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.80009817E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33179571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.88745938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23304938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78787900E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62557486E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.37987566E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25026762E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04559255E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.13069042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58520536E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30188065E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.40298978E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.01668444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27846072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.94295680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.77113820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.06521160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-aae3z.1.element.json b/basis_set_exchange/data/dyall/dyall-aae3z.1.element.json new file mode 100644 index 00000000..acc2d62d --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-aae3z.1.element.json @@ -0,0 +1,450 @@ +{ + "molssi_bse_schema": { + "schema_type": "element", + "schema_version": "0.1" + }, + "name": "dyall-aae3z", + "description": "Dyall's augmented all-electron 3-zeta primitive basis set", + "elements": { + "1": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "2": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "3": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "4": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "5": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "6": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "7": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "8": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "9": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "10": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "11": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "12": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "13": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "14": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "15": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "16": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "17": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "18": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "19": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "20": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "21": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "22": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "23": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "24": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "25": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "26": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "27": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "28": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "29": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "30": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "31": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "32": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "33": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "34": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "35": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "36": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "37": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "38": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "39": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "40": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "41": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "42": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "43": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "44": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "45": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "46": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "47": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "48": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "49": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "50": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "51": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "52": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "53": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "54": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "55": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "56": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "72": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "73": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "74": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "75": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "76": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "77": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "78": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "79": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "80": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "81": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "82": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "83": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "84": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "85": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "86": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "87": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "88": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "104": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "105": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "106": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "107": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "108": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "109": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "110": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "111": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "112": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "113": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "114": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "115": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "116": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "117": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + }, + "118": { + "components": [ + "dyall/dyall-aae3z.1.json" + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-aae3z.1.json b/basis_set_exchange/data/dyall/dyall-aae3z.1.json new file mode 100644 index 00000000..b41919c5 --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-aae3z.1.json @@ -0,0 +1,95396 @@ +{ + "molssi_bse_schema": { + "schema_type": "component", + "schema_version": "0.1" + }, + "description": "Dyall's augmented all-electron 3-zeta primitive basis set", + "data_source": "Data from https://zenodo.org/records/7574629", + "elements": { + "1": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.01657212E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34649031E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05473364E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62453493E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80494579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00896460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91394822E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60426029E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71243724E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96180790E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23551545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93467565E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16556619E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.72511884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10724152E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "2": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40072588E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59090341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.16292739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30932047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51215959E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67601960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00126018E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84736372E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49139365E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96762513E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12853138E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43108867E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06765768E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95612906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.33588733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "3": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06973312E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54595264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02740411E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89586956E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41196495E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38684376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31505511E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39211605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29034885E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.97331831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.34381553E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55490423E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46707438E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06434589E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08478086E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99431320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67746425E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42782545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77535311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77240546E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.30116131E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22478016E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45878375E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85796104E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.87090703E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04231736E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72589792E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "4": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83205813E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.57491851E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93049738E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42828734E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76151050E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.33348080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46053217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01303767E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35324355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93804832E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71465714E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47833689E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01026182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13322544E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48671826E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09713585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.64448228E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99814660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04950925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04947150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65880377E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96137454E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92979655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.38302109E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04771923E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.71919015E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94872657E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75770038E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.66942695E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12974433E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "5": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93788253E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30256081E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91729099E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.17438240E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64585452E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49405228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68250561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51497839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52312620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92666937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34129377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40073325E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76036838E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03056262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52888838E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97655497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64212537E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13895437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82762281E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15187932E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92743428E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21335758E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96664366E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42110477E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43921928E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.35833271E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92979801E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.70177412E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.29163721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62919094E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "6": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25637995E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81272742E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03580313E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12628251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63455675E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30098662E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03486990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06663353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.87806696E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96889579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81289482E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57728142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62134214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03834234E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80845491E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04771299E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46395646E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.74747276E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78836296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09850897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.47609037E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82091560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22603733E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37407056E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10518334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03556881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05919990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.40448811E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.21638135E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29788622E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "7": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71695092E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44953145E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41696657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50480183E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83958367E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72764044E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67046428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73213278E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17083422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.20267195E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33614567E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02717148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60512780E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42291190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14772480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46219090E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43328856E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08245932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92374865E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55057907E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29000400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52351112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78127520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34953716E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89132755E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56793871E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56143189E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45843916E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02136377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.36667695E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "8": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31109552E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25648035E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.14764591E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97541170E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32914299E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25272175E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67708707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54739807E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51764440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71690551E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97334060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18562343E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74294339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86470896E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.58617071E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94301648E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55312788E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43777974E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23568979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07194422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37152324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32239815E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26399016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38889252E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.82035263E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23798726E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.43284985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17751133E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40715844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.86905176E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "9": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05576627E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24923032E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25137786E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54260776E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11301689E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87846079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10594336E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51297401E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92801206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51146147E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73474292E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51152861E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04849945E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36723371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12810867E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49295846E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82791101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84180600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.72731462E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66363529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07244326E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21897646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58072874E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49964980E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.87053785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04464288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.66404926E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02518537E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88500537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.92958603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "10": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96947614E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44443048E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17525108E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21089589E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02006148E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60686567E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38211221E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.62889087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40137989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05814807E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61947110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88234675E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52704176E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93186695E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00310413E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11489673E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26198672E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29555900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.40148544E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32657461E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33518856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21429760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92869104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89152166E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.04818445E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98165568E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12359377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20284680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47554062E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.86211790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "11": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12411711E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48138260E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11575176E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35793261E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61959305E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16853842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48747556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41535588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04056479E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68077529E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22022418E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.45495305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37672722E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01638181E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.31653097E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69635066E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66647730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10197855E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55060604E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.91840722E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22534651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20882492E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83480956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41479852E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.70193619E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37169137E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.79354668E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91848733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92778800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.48418680E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61912121E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46652179E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88802935E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.36795394E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.38236614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54959574E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34901424E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.23794995E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30056043E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.33464785E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.20690104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "12": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86922638E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40747551E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98080562E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32013324E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10055031E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42520656E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39199655E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18035656E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29536723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13567324E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90560039E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91564247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59243635E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55413972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67539997E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09706204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43688667E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65510457E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97564382E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05090031E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55223446E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73140712E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48700666E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03026007E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.24047312E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48271870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47685148E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13314800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16669594E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83267162E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93974241E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66112074E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15663648E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.79257217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.14977385E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10791979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.03864334E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06557142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28034492E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.23794995E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.32965821E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02328368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.41845761E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.58425930E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "13": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61331085E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31186418E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.76439892E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77512990E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47170610E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89046782E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.11885559E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86814317E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21953792E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41539831E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49055108E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16165181E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.67403256E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07092561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.11699442E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42262347E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12347602E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81455638E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70034423E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03998302E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35924557E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45497969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76112956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12518394E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.80517072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07472125E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.86303251E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01277072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11022663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01002471E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10636269E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04235601E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87877919E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72517742E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.41228477E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25083805E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08309330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.44257920E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.69930629E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25654942E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.77036599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.68784052E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "14": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41530473E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27842169E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.65273727E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25314457E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90330646E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37345620E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90109368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57379246E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51523760E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71186777E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07892478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43205781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80409952E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61953632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17570346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52952454E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61561381E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79314281E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54257103E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30727960E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93795668E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.25086611E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42442725E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39753549E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99735430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61737833E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13832598E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99407219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50758517E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51126608E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78058409E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21166016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10146928E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.42011080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25666735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61743175E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53325537E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.23670830E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.00102549E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50135220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.21961182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09458727E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "15": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30723404E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34914798E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07248938E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77250805E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.44519213E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88995955E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07964097E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32091047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82719576E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07580104E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69682616E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71640797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01102009E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20986282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46219083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74738515E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14751786E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94037694E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36536722E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59142117E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54310170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11130593E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10893367E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67788335E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22366817E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17958502E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40517960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15448646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96730743E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.20155791E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44723029E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39444041E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33740093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19117536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61538131E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22607394E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07120534E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.45370125E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.42680845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89204486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.24814897E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54616589E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "16": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31068821E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.54988506E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30311985E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34595703E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01354908E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45272873E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28508432E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12718005E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16258439E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53769447E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35767940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02044442E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30841798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84720189E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77267984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07267230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72231955E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12672292E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20386196E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87471736E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13696340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29246766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77090540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94765599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.39618076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71664457E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66216311E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.36076883E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45183674E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99840640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12511970E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59089629E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59670901E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.04258778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01345238E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.03950405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67732297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00532922E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.97013550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.35159094E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.54654445E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19091396E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "17": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40636873E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.87149930E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55657222E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97349378E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19769041E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06326246E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50714473E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99586549E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52292903E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11047251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06486231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34566619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70034857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53336757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10778651E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.50704231E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34305711E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37854423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06839417E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15713735E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72030818E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46893921E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41173139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20711766E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.51214405E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22202630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89907772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55970929E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94516913E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08634057E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81500101E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79731876E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88082047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.97778906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44997148E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00411042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34213688E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30062550E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16287692E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.87488526E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.10734313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.34213688E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "18": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56667124E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29804024E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83141376E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65367591E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39689020E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72221320E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74628020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.92940001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90944261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27828896E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82130329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69343388E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11938854E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27141112E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46860868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.05354406E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01192116E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65005734E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11071908E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45656966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.33026274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65209498E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07339194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47361689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06493613E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72977240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12561764E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.74705661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44540373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27909136E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65717608E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04146393E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19210701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.00414150E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92807512E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22407920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06250457E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68265944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.34145959E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.47364833E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.99485367E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.09827368E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "19": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70979584E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59285638E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22263806E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83397593E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46481197E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83091338E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71250139E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64371933E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10383490E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83677665E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20624552E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04111682E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05274919E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48524676E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12810253E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51016642E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70553708E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12056868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.21390260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33810977E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20407410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08176995E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02297136E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12857354E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64479759E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53330901E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85208145E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46425069E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96694702E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.96411185E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48832432E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60447892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.57563158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63397107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70328640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.09872309E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82073162E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77422040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.13683690E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18690952E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25843551E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02275849E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94815759E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59819840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.15536910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56924634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.41992101E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83454480E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.72026651E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45591447E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49672840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13400174E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.83838990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "20": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24633537E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42837862E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.00751943E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29634536E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84747793E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29259803E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39456034E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30105314E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37605488E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02118720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74354211E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29314154E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26431785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07018767E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39562991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88127796E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40174368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50403325E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26763672E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36765143E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68945740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33226125E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20740520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01269248E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66328142E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18730238E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25751342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58388428E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35412235E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.49455244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14963927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90867082E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02909007E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34940922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06108027E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.98365115E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.88868809E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39840754E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20321460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27043196E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00808590E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73705919E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59329056E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96064660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.32840960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97367339E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.97722478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16309249E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25122551E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54500007E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70179250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38907420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.95815720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.48691880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.43863707E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "21": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45447409E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82136942E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91303344E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53975100E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59098442E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54409491E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31956547E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66621673E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52917975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69607626E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05317969E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44000837E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98040060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42478708E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56321259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74415691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84447242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71293970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.26954122E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80469628E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65621219E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83345359E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24910074E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.93254724E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41050190E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63613429E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.61329362E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70627419E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08756329E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74280229E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17982037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03193984E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97968369E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36835634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14814186E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61293764E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73740335E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04592373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44015183E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89251896E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81204065E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.15663262E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.70653467E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.99202020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.05339500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74691673E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.53699933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16875746E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27887870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.83821951E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65172171E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17414995E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78537449E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.45197328E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73647022E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.56760335E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.84207993E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.83909460E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "22": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72762353E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32300748E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10634454E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84791572E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.52846549E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85996046E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04761523E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11910047E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71644571E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.50666879E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41824047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61019183E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79716207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82332700E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74866163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69401662E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32841888E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94244223E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36871023E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.29893642E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08977354E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32478677E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43587229E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.29960855E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67794424E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08215829E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81010886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11221712E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24587220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42005706E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48878879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17878346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69661782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71663309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31760469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41979719E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10760198E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16284658E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.85072666E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03416009E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02658985E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15545281E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41889182E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27448013E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.22392958E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27924283E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.99812579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.27648098E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74912833E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63265865E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21844561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40747200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63941223E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.01613785E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.83850370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.25222317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.02158221E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "23": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95584820E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76905464E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21166351E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13532190E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41379976E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16079568E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15830978E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.55412899E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89713594E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29339259E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77501696E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77772871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.60695704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22138282E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93465769E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.64862019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81647846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17422583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04694822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79289448E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20590184E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77555229E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60722434E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70662196E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97917644E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57648787E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01184487E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55190281E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41625098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.14558781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81869200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33522967E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.45871962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08572256E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49640435E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26506454E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49137031E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27833592E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24496899E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16608224E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24901056E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37270489E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06303942E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52221188E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.28078566E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75849341E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21954483E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.25350849E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15843824E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.16813754E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.66552865E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.65587127E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21852717E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.63713985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43236226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.19043852E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.02483041E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "24": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23722214E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30322385E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33715295E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47578027E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04552789E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51159501E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28638411E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05433598E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10386443E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.18979484E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17991468E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96701639E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51682025E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66534901E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14102942E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07019215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34888299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42049718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16329541E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30805738E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31924422E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21860481E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77480355E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12540611E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31772578E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12398785E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15479981E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02788701E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59951488E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92236071E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17071694E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50178036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26823058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47657993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68494920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.15083842E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89008038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39407960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63084528E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29182057E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46264607E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58607501E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.69480172E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76449487E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.31584809E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22721194E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43324988E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.19533238E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54849078E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.61006770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06454301E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.02407452E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72712177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.03969696E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81720280E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.49342542E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.85507624E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "25": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40822628E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68665059E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43317123E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74463790E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12935387E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79835589E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39243458E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47276433E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27830227E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.95219252E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52696670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13074973E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03141556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06228110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32952349E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16756228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85133651E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65918944E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27593658E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81427725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43108302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.63451933E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93067637E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51893419E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69702271E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72928121E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31074421E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54230499E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79629268E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.75246441E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54563063E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67874362E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.12651139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88985546E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88362446E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07953117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30504984E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51065134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01100222E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41277178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66831997E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80163196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.33217964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00846081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.35884857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69908810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64752820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.13343983E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93334661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10151349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.45077115E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.20034194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.24318783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.45251458E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20292522E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.81531812E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.73114838E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "26": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65104363E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18786587E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55591169E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08643739E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23579719E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16116009E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52585746E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99617655E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49524251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08947152E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95334305E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33040295E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12758740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53304615E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54859654E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27948333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41766282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92075903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39866101E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35533250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54381067E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.06043670E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08896826E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.92304545E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12118421E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.39799601E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48076924E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09794220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00744729E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63895351E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94461240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86659529E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.03556039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32649576E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09293167E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00538481E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73757219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62856134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.38760048E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52994557E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.86476974E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02219425E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.98343248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25736942E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.42338924E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.18032277E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86534411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.08187360E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.31931010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24089509E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.82437441E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.49627044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77682937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.91200390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.60133069E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.15294608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.65024467E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "27": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82208420E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.60689663E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66556157E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40045266E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33492420E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50240882E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65252510E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49736454E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70447802E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18087479E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36842904E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52536934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22187448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99779196E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76719203E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39162442E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98935242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18724669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52371795E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90892247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65899197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48969406E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24642912E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.32551231E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59453363E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13605026E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66600602E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69761164E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23382073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.58468781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36872923E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06576162E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99719354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78728981E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31316779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10744066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18748049E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74786653E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.76104080E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64373645E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.05303782E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24929513E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.65297567E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51294715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05166101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67412190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08822889E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04794544E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.70969286E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38050186E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19504685E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.80743454E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.33463515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14352792E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.01676166E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.51620257E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.63803944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "28": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09417454E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.15423112E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79983714E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77470371E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45128984E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89825079E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79771162E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.06473127E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93857560E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28212016E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82455518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73820181E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32415198E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49845610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00096535E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51095766E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59353474E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46552824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65392148E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48253345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77577209E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91899313E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40256008E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.72540705E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12190993E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94990484E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86766622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34433298E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47633882E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05929234E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81923359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27674802E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10135094E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27315103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54478781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21436253E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65600768E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86895927E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.13293631E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75481037E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23432049E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.48391727E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.34357337E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77626216E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16429265E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18245777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31711702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00360891E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10650744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52114902E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56610386E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.13384571E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.92057615E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30336632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.45236760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.92463832E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.74680642E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "29": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17836883E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47963329E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89703427E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07242257E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54918932E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24357127E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92770015E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.58342379E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15656545E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37795134E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26241548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94505481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42469346E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99623580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23612341E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63159981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20815728E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75100972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78750651E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07220205E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89582353E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35577026E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55957396E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01250113E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70798341E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.84614925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08701673E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04103966E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73578742E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16660415E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29694339E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49988133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20860387E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78498450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78821543E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32629877E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.14347547E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99182991E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50327929E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86331229E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.40770461E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72681961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.05733091E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04811922E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28056495E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.70680231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55270735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10495806E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51119083E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66339036E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.94103779E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.63351158E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.50612052E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45696848E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.85526824E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.42224313E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.05555984E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "30": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39435425E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99808344E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03487339E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47424182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67782093E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69008377E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09406092E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.24208227E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43119918E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49765056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80432517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19847238E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54645939E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59114037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51719909E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77583427E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94120643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10274932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95823890E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.88071260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05027372E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96124991E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81012871E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08377005E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44385455E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96245884E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35714451E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89174535E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05078035E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29636716E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87347840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76896978E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33827563E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.40959874E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08816213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46400045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.73631515E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12917749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.90937835E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97825650E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66493416E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17340924E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.36732102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.55293077E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49917368E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.72204198E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03683220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33336105E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.55414758E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09361233E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.21899577E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.83197700E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.36242615E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71948900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.64703612E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.03365893E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.09012380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "31": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55445959E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53805914E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19617901E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97356169E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84366401E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28039247E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31796696E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14019784E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80916474E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66331442E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.55624758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55009317E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71490540E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.40892083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91430040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98206909E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.99972969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64904841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24139583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03349674E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70644104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22830759E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23471170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73301970E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.08808822E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44309931E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65650470E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19291003E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53605376E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90707869E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.60219479E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06184271E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98041541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.77666289E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66475578E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16284487E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62156734E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06986778E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11755278E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99871898E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05737780E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92523211E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15654755E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.40247675E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87021090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.47094152E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.89826857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76032088E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.66908542E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14030786E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08908959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35917750E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.03818330E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.53690930E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.10609080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.29394340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.17685060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.48329310E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.73593850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "32": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75343445E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02023082E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39819004E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.61845733E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06356833E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.07305542E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61881785E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03382598E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30984371E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88246484E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.55288416E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01557329E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93598891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46758326E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43298975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24480986E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13104017E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30652312E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57590746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20096394E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44413215E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59544469E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79702298E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47836180E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07773854E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69205977E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22981657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36598719E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15827086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15833398E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.70507356E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57599349E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23033382E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10288618E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27537145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46478757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11484652E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75937004E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42823716E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23725801E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68397030E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45122340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30971213E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.98968707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.12546986E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.66244163E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47315611E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03779022E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.94903250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90445404E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38367632E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.68835960E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.44566020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.71519130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49719050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.66656260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.15897290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06878200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.48492330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "33": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84037754E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04741635E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48021737E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.86570276E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14335233E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35442200E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72727398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07892387E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50695885E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97163634E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.97096621E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22025658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04068671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00200794E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72249319E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40440526E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21993854E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81855903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85054141E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35308984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22412844E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95986625E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35217158E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12841610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25921678E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95770521E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.83336399E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54573419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.79762466E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41444066E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08218676E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09372511E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48073813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22761324E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88544562E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76954531E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27234366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53033238E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76018660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52968218E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24395270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.24946231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54139147E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.87896006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51450329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14965785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37984525E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49289704E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12673049E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78844260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73973970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25591910E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.86810460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.94483660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.90802910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22852480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.79380230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40405330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.27408280E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "34": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91257405E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08552012E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61077716E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30096950E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29512815E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91241162E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94328145E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16654357E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87830978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13558305E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.72184945E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.57532086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21313616E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08741085E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15373572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62925493E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33734473E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44316383E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17617127E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52559166E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06373017E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35390677E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00275324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77239600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44232694E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22428505E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43169807E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72167334E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41701325E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66053736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18875922E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58471891E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71705069E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34466258E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.45923055E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05885736E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42500468E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32247165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10016659E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.85965836E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78480230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.99466247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75672026E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.70179219E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87377103E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31862905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.21101127E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90745782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33269967E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74576990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.12553180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.99181470E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.29592020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12276080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.33897250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50752950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.62749660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88064920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.10287110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "35": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15532200E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14812366E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79022382E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.85300079E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47851458E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.56472677E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19006342E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26519798E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29302905E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31783155E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05532345E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96619290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40148562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17991277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61745704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86921977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46201787E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10371231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51941039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70755420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95273831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76751762E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17878343E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40655380E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62032129E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48207234E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00386082E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88786464E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.99612387E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88874390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28688356E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.03364193E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93184357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45023649E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97509644E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32036019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56522324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10870265E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44061786E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.20998554E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.31367050E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.78600736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98442380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56941673E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25242088E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49677211E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.08866174E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34689761E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55224006E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.77301296E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53829111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.92830140E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.73543750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25650340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.79044340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.79715170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.61019350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.60473320E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.97130620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "36": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17991323E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17633306E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89878976E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.23363353E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61516067E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.07657147E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39150797E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34834584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65094954E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47770238E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12920507E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31866563E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57438888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26649609E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05799044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09998310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58358314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75114559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86196588E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89263435E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88241566E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19462923E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36130944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14731660E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79252643E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73044757E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.54946010E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04447512E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53632486E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09979671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37692414E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44218662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12578540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54446498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43056540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55041350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68783305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86733279E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77532298E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05671028E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94297730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.61271060E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22127617E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.46930426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64474259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68131637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.99833116E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80352489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78113476E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.84543548E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96354748E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23340160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.18930240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39583200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.26275930E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09744120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.74331150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.60760270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.87951440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "37": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08767232E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83371171E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18347777E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62874001E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58642951E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05499075E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03135053E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30729427E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42545267E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.39369988E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97082409E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42407022E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01511850E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54004530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82344036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.52282397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87014426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58793768E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37806594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99803200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67443344E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91288086E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29378663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03569873E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88410026E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70047420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76439080E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89943874E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01896362E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33062703E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81779748E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66060143E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29430683E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85631990E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37338110E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51645406E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41072625E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11946882E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41413833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69585869E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35485131E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.83574530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45397456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73752459E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.17333391E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72813018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65446097E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.51815390E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36553789E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93866375E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.98776019E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68626962E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45065186E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17222527E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58380415E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.89820275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23604465E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59392728E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.00075065E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.01623134E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99203874E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.40111233E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.76509439E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36639330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.43202372E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42341944E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.66376770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54186010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.76050800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.13612248E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.95268640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.83284100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "38": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.26818774E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93389725E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61837344E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80350379E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29267831E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34628991E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26830327E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84858404E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66995286E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53303961E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51698704E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69279425E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.37083181E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23994238E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19183724E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14698926E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83858288E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11458074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66434325E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61012132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51896303E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35365202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08128826E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49446470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64687364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30234500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23524259E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68625194E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78092267E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17289623E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.61401273E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.80589089E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53828331E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.52410055E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59439007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35525531E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76177253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27773118E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16757439E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07052085E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54469033E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.90871380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06644462E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09840565E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02995272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94556182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33586520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28758348E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69974893E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60536749E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46811493E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64614044E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.71488437E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78633889E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.77953698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.65413423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80392165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.09551307E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59619753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30127783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10308753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59122541E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75087430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.68010638E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.10893002E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.16985420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.69433630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.28251710E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.56145306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64628200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22699972E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.78455987E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.08302320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "39": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43512088E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01722594E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99876484E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96410954E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95741170E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62176475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04393466E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36307122E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90358422E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62642841E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04320047E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95201691E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.66807895E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89617820E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52648315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31716661E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69113704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56930851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90767701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.97363639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18773089E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70078664E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25681387E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46061267E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11633975E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.07281519E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50106792E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10399420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.27297485E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40608328E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.94368033E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77875807E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17377730E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80655136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15150456E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09206909E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42549780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86648635E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41538248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72092932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81245276E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53338641E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34584416E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15966851E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61795988E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66255173E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53703844E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14874117E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77366098E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82772740E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52810453E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38369680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66181548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.22286587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38199457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66119505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.29183202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.14141669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02271969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.06638979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81152694E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52033281E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.61996761E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78938255E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.65929520E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.85358520E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.83037570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11534430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98128970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.34356880E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.11452300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.18725380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.98465900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.61553000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "40": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41913036E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01961442E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01923777E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97382525E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.00801456E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64868269E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05785673E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43304941E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93797505E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79467206E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12673613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99497598E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.90117836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02877801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60405961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36370107E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.97803346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74041157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01030682E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05880331E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55744188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92544032E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39549746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18479454E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48296652E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04756548E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05773642E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32140536E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.57585252E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27496342E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.19159130E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04110973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87561805E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03330436E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99478042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43932198E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57989471E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.59322894E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77228871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90219280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.75195592E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02487300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60993012E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30273782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34720069E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00632478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07105157E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56921369E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91991897E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94941164E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.64333519E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.70169718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78002413E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.73282584E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.62162010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78020947E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.90076960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46389304E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19642932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.96447971E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31951484E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78369564E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.79901154E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30737419E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.19818140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.01880610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.40037390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25470950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.73951700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73882860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.79609530E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29560930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.12817430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.04272500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "41": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30767525E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00104183E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98814705E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96971653E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.00780182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65151028E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05936238E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43771861E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93872529E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79256882E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12370810E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99321611E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89750313E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03361828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61232463E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37268878E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.04786621E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78372507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03604260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06855208E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69265584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02816657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45575066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41153959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54293603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.81041128E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79281562E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21201747E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.19232326E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09001198E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03607226E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28531763E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52149984E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23921398E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.75121154E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74751737E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71557231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22567032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07975585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05605013E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05399819E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44003972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83566379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42558496E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97381825E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30336506E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16647495E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90147042E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03587350E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.10708517E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57687774E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51473934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70954700E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.41335166E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.46446207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69558350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.42052768E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19974229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05263858E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.33490109E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02048782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63342997E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.12639417E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98415615E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.68640380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19030750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.99390460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01820860E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.91833210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.72777400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.40819230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.33556320E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.77852100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "42": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.18593067E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99699637E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05526774E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01462746E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23841742E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76063138E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10994167E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.67302668E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05007645E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.33124218E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39001238E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12706196E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05780714E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38299679E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79325745E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46674080E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52482955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04021302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17464560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14337867E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11645850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27041272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59303796E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.09571039E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86493465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06707947E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10470125E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32696610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46577189E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13851361E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18709071E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60089746E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.35231022E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50218302E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.71143141E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13732017E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88698607E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02591794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46977280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25238609E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15277331E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.94498091E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09951147E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56553846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66467667E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62105632E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26317930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23241359E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14744982E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27587735E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70566193E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.86935649E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84119157E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.98119496E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.73102973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82769311E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.09288136E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54976916E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23439895E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03519349E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54213168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87647397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12932516E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25740995E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02668080E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.36733420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.60730680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22376520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.58162020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19387330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.52472710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.90566690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.30188900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "43": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33028930E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06262239E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35714186E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14608662E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80962351E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01006658E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22079543E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17605640E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28373479E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04399326E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92577508E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39037067E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18929570E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04883678E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13404169E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64167382E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43183703E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52926728E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44103200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29549498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89111323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69119618E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82681782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36864259E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53996401E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37415440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32676785E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81322390E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61441028E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.42548166E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37256242E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98728678E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36543338E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82196481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08769718E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60966449E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09426687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99226419E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94031666E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48959911E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27038246E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53816241E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40762880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72076108E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.40856730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95430692E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36016700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.55583764E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25219701E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43955470E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03741054E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77957239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17864368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.44732572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.42563878E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17887084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09360564E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.53665838E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77280582E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31884351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.99181372E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58207470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01956168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.45810091E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09251440E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54999860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.24098840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45234530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.43195220E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47731730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.64526980E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.58696320E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.86232110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "44": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.17858316E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03366447E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29674310E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13441297E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79886144E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01443954E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22416412E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19751238E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29776946E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05222850E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96862058E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41133341E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20003645E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11144722E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17398756E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66766932E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58485227E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61520538E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48671659E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31277302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.06188622E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80066287E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87889104E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51526064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52319203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22319135E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.66997501E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53337817E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96388898E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04758390E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52407113E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30134723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.17927213E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07469640E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17833842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97182981E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25119516E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07147064E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28772055E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66155173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35712811E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.99187749E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64999923E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85124813E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.05363718E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25210332E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44336257E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82788313E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34125463E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.57710603E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98609744E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63586077E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.12459562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.20082450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30306295E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11135636E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05397318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.30540561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62484758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24458045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.59221072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36138481E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.12490555E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75803865E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14827870E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.73925980E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.89943430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64059730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.94623200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64874400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.77011810E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.00670730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.35569110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "45": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.21003901E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05962006E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44610005E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20547899E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11533474E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15382542E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28692816E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.48079939E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42641166E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11250488E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26538253E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56423476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28081802E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53997949E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39988830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78515822E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16359229E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92166951E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64840342E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39721850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52756116E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06122152E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02608623E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02366296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86011047E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29673881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93318562E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62896757E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.19629902E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18290311E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71954400E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70655659E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02266956E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39856123E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29403366E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43283222E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45064056E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16331210E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72983091E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88144099E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46612950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.54937684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94260773E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00254525E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78321661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58030420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53197599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.11357424E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43126879E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71825903E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13858801E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.04979049E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27696915E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.85486218E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.60954511E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26341294E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13170176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71305720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.83610097E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35475842E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13480226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60946883E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01406408E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99945528E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21186940E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.93421650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.57826450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86028500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.66866020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88955400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.89899270E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17513210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.91710720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "46": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11571378E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04156824E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40980911E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19982441E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11550176E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16023497E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29167561E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50874547E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44161884E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12038431E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30442147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58254112E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28892265E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57572815E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41803663E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79751444E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25139679E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.97949543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68662653E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41643975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.72834288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20396541E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12647100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07338486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.11162053E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36130435E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13211689E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70269194E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.38295694E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28847344E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87212859E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02103887E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10306125E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64355987E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38026853E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.77175033E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59536869E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22902680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04189480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03358317E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54334659E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.96096618E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16389070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12494390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03962413E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86749908E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60876306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35760958E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50853813E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83724171E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08586264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.90268263E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22161766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.60245280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.48502139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19514292E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09314442E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.49253600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.68664583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26393957E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.60097245E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30332690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.60887284E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91308789E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26911630E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.13737510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02888430E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97981370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.85290660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95096900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.03312740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.33002570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.43341940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "47": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13686102E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06092636E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52580240E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25845582E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39904851E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29353792E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35413925E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80450716E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58420713E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19034262E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65258027E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75748414E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37754396E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02947689E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.65338908E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92070834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.90113422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33067749E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87668282E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52068008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30198766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52029976E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28580744E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15233290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47118690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43343513E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38640955E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79165402E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59989230E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49071527E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16591750E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63029191E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25969588E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12303826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54981797E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44190760E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88359970E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36135235E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.67769267E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35045670E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69714178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72926322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56005706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31876443E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12947874E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25472128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70689381E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66435941E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60013998E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.98242425E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46826769E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.93808672E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60261025E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12488450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.26169761E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58675689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29711217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58318425E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.28888782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58762927E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.26906522E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12428867E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22366870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.47961492E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.34468470E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.34445970E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10117360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37680450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.58521000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.52840340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.17032740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.62875810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.42919330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "48": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.89071917E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00899377E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40330953E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23026019E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.34248649E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28767707E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35760229E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83941241E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60632150E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20271592E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72012830E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79541933E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39977454E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16361970E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73557333E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97172651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02175520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52086545E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99117193E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58782437E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.75154371E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80825980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49714461E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27246742E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18835547E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82516466E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99072098E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43895456E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05939485E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69140839E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45979997E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24037706E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41589189E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59727855E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71601136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09360664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16194338E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48832589E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.28426575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65089870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84343579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.46581972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94042835E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50552204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21631949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63120729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80059568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.95515015E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68575922E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.17941775E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84652381E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.95224686E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97358227E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28441382E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01300907E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96467964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49449578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64081796E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.87222530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90266310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.91299749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94585758E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59146030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.52546428E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41766510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.55786590E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17576370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.62069000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.39673500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79891200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.31185380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.78753410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.95844700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "49": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.88285108E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01322180E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44319731E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25305646E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45791027E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34289156E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38370938E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96330036E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66599861E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23197689E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86611244E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86966766E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43848567E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37122965E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85011377E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03678183E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05919921E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73915158E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11997725E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66317520E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24803137E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12394788E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71488961E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39886979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95707144E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27003236E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03070733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47969655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55271770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01267710E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.52883982E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60155878E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20058700E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29911106E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.61064689E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82802263E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89139916E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63625555E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75951911E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82062597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53208370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33618738E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20350914E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27461084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12494860E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52201368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.03356107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45233343E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.37972784E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48547075E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.70088390E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.53599087E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49981056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.51929048E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37010093E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11525514E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.55864522E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87852136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51563641E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.08391902E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28620339E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21331674E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10382616E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.30206236E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39763470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.86616184E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84751790E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47488160E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77772170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25271360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.02133570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00487780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.81789580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.66497420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.21985050E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.45774340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.04007130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "50": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74534403E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99067942E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.42651511E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26767650E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58724261E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41934390E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42421167E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.16871088E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76879156E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28355618E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12815896E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00493669E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50942383E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74886852E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05407833E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14824953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12075676E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08743786E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31890244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77951378E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.93225188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53108388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96897898E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54241230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80222349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74016006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26412099E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53500260E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10766160E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61980376E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.50526578E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81275782E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74666186E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46099329E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15260775E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03062504E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72200721E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00272550E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93106728E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.65908914E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95791320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55941371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31828770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88259247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44761101E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69239648E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93855133E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85023748E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13935931E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36767301E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46871620E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25274119E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68298402E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.17043940E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64357763E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24314710E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.19714288E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.21431431E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69744422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.09025481E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.85305289E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53095738E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27898151E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25394670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88425001E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09938726E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84853130E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55321180E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00413000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33204850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.39106200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15637110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.27041910E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.48626760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.74859370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.60805700E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.29281090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "51": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75339381E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00285955E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.51340658E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31641818E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83930931E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54360602E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48496438E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46579639E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91512222E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35642277E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49617816E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19380445E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60799487E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.27184660E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33547136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30085051E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20490009E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.55880977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58553371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93639956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08012259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03108721E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25514803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70084983E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.70895719E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23290363E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50488113E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.61020954E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56761330E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26309595E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.54604330E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03869693E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.33132624E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63403286E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72969244E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24533694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.59834078E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38783846E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11074464E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05356011E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40269005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79252628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43818063E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.52036006E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78988192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87515067E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92972699E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34499004E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36544503E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30225540E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90555940E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.05315649E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88616736E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88872161E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.94388368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38310455E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.89443168E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.58037631E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89580022E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01889566E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.47370762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88147982E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47385029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.31984484E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43297470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34929640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00018480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63246490E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.23710180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41378330E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77151210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31217890E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.85180770E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.89884920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10724290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.76281410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.55220940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "52": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.47672242E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94066595E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35544412E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27817855E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76531836E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54056208E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49337516E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53773421E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96154542E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38385471E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65224478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28106906E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65649405E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.54164467E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48638503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38595708E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25284678E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.83304446E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74325905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02660117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13678715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.37321695E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46361798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82700904E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49667574E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73421082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74432211E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.69852295E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01076150E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.85083154E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05425035E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25968945E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.91042343E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80644604E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.30505497E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45894053E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04675826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76888349E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28817507E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13999369E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.84042140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02114726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55580857E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.14782844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12736661E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05614029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.92575451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86304109E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59850872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26035604E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31940790E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.72841693E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05595772E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.48464255E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.19176371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49807061E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46548988E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.87895755E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05693190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10790207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.97227758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16027853E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62949691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.17853066E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.88493090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58544670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.27474420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71139260E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.47671190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49792980E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.16446420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47294370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04949990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.43785420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.44409900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.92204100E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.81868980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "53": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61756518E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98499834E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53957214E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35962458E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.13522194E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70734024E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56935233E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89053926E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12885404E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46488985E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05395149E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48460929E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76151822E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09201527E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77869334E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54278618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33857601E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31570569E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01877937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18928389E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22824521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90064889E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76855245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99745852E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04772815E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26461992E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00283038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89786351E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50021620E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53102094E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16626810E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50450395E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.54458986E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99322399E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92087351E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68460786E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13747028E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.16210199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46939828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22749162E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27994973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24873708E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67236049E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.76792968E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45890514E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23380612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09114802E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39293154E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83607745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.24033576E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72372490E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.62797082E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28130470E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.27325330E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.51901205E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64968565E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21833666E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.27290877E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27033664E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22606013E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.64007859E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.53920694E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84184721E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34887528E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.49337100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86444650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.69633670E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.79264150E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.72296760E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.58450030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.57120940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63913590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21693500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.05977000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97173940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.08575010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.09261160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "54": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48423264E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95885756E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.50058918E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36607377E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24863019E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78820775E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61704848E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.15003854E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26552168E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53569844E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41759707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67129605E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85801382E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.59489204E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04269972E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68199832E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41151661E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70954371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23373885E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30914483E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29810095E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.32385894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03606176E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15735140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14324160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84124790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27819260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01342458E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06924070E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.10131557E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26524380E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72618852E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12720009E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16623676E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.49333216E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89448485E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22174491E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52689742E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63727568E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30846524E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.68611444E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45840034E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78019021E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.34468903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76710191E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40022684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18493691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.92315492E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07474884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.23332857E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19852190E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.56806256E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51543754E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.08866259E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85620914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80551164E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.99140065E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67714973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.48946885E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34747076E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.32692316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92993904E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06167169E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05656103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12785410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15222000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.44000200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.87499360E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.97594480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67350830E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.99356540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81159540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38446680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.76723630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.69216750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.25395160E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.37429050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "55": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46013948E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95239765E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47858799E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35926991E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23772617E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79241253E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62263856E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18883181E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28814095E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54847766E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49162288E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71451522E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88270827E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.73175836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.11681588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72262572E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43399077E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83643947E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30251793E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33386940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32602505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51049587E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18003562E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28157856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23685235E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91374788E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98268826E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44830456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.43981270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27743147E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87929476E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06102307E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23589691E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10396530E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43948696E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11897001E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16628433E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47606100E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.52122855E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27232141E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37396752E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.18824831E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94301580E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45673921E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43534104E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85708541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00630763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06932858E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.62603379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89349722E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46565095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60214345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05354627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35767010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97423139E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54583510E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60300028E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.58971303E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37006059E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.76506422E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80894082E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.60020316E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81731735E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31874292E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.55132951E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37809717E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.77679042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.47615462E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00701034E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57833310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30242508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.29345754E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79382752E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04582820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38502110E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28899455E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95476010E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.23578390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76501380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.43668860E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.99304060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.63575043E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.10966020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.42679200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.66665530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "56": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28086965E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89790764E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.25586977E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25800485E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.74618158E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55153677E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50409573E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60417226E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99760198E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40222266E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74287504E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32477599E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67709698E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63638149E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52943559E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40932382E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26816951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88200023E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74183377E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95118184E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10344180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08256192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18054891E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68813429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83867704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20291415E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06335810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86002370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84048861E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09846152E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53305840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60318570E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.97190043E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59658232E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47800159E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.12160846E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76219279E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.47007346E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61907028E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51254788E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78578031E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21745021E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58915454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.10054941E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20788440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20721993E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18944851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.37282594E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34027771E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73499305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36826016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09661813E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94824110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23590520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35388561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45643843E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48087621E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.51767149E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99851226E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.26579395E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09447914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44739556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.19015565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.71283436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95671159E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04718100E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56405651E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88634175E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47287376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.23682363E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.33032812E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29802090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.69569954E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26218177E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.04351650E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.50257750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.85905110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.90063720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18316630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.51074070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53761100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.38639360E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79294551E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.60424350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.96824520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "72": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47387190E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72158300E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88759957E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23692904E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25793831E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03155111E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83018986E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.56085251E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11052469E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01870177E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01220109E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17157224E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68786995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41891787E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59590969E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11484202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22485262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22723073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80317008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66243221E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09940142E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17604417E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26099040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33692332E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55564497E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.19965847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98603844E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23617130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89567436E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67729126E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00142247E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07433271E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89981095E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.22089317E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51961389E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.69676642E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.58693776E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.50562232E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79542451E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63048935E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.44580981E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56724576E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77453292E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.08782228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72919814E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53705409E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35825489E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.08017987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62483170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71640682E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.21486362E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75706116E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37243308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63671743E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21488058E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81434910E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.72524233E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52891276E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04082521E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.79652460E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75071735E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.58216251E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.35209497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25729362E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15980782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.80172020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79991459E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22507431E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91171836E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81605533E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.10065659E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79752871E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.14435448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41220015E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.97547640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.75700059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33686492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.49941524E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.08799631E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39458851E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.72547744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70220258E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.06070230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.10996600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.30857290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.90470030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.98476058E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.87378800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.39548360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "73": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46340897E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71911950E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88216787E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23756519E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.28526975E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05868804E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85067044E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69478039E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.19167039E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06553889E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03852534E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31719519E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76752410E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46211665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83105255E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24626950E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30092608E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27326477E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08337179E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82295904E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19742190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23446251E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.58291202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52577272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66419669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83973533E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.31697699E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38987593E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.48509651E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90242612E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04340859E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16396697E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11790871E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.80417061E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69031577E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.23615580E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76908002E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01610704E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04748978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73418067E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89980606E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77698524E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87562423E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.59593609E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99143275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67713172E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43441029E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.48174751E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83983890E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83004522E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82113985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04284599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46662789E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.95254291E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32307321E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.77009432E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03124245E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67222756E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.52884868E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.99482921E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84037805E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.01824421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.57395123E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37394629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22167235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.12640703E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97150404E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30997466E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43707380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08705756E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.24452895E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24141863E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.79781620E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63620422E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.94584107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.22554049E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.57856089E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.79373118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77892969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75135480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.36943084E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20915474E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.62244430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.37011630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.41593650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.29050610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.11928633E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.23484990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.08425050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "74": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41018810E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70489853E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83172802E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21674430E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.19067252E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01635627E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83347184E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63415862E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17500855E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06388903E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04104107E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34910785E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79598694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48390359E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.97876636E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33738585E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35243925E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30186961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.25024908E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94137929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26968708E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27882613E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.83884335E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68337589E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75976731E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.38336790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60600973E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52587336E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98528887E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09430068E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08975288E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24544773E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32854740E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03831690E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86258639E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78650783E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95631043E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08377599E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30814488E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84138849E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36873085E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99336748E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97979850E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01183828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25965396E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81957226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51139595E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.88574213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05650421E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94352021E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.41911766E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32086298E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55320744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23521199E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41814578E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81558266E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09440668E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82590536E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00506052E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20641404E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93596219E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.48318785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.81079983E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49883902E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28835587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.47991139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16168325E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40832492E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.98056754E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.35135087E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.33820662E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61741825E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.38338168E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83656052E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.80869452E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64309995E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.79326205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.94381629E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.39438207E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07200822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.89768088E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74587115E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.47390320E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.63141990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.52461890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.68265670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.41552147E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.67125850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.78739520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "75": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35989718E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69194013E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79498858E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21052705E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.22640450E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06411159E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87016706E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.87685669E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32560748E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15308862E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09303061E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64950603E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96549833E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57645826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47487261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60492333E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50001235E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38500901E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71304453E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18022714E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41233390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36216426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24621484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91034367E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87808960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00649849E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94407902E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65778728E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48909768E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28513445E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13994487E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32614724E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54223770E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09782849E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04117876E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36034385E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15224712E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15470738E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58126104E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95352193E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85802903E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21860206E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08798095E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06594548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53659266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96601090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59010198E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29969813E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27886258E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05882521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00172240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59438851E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63359634E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.49077440E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50175901E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87842672E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16164850E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.98897975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06024970E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.42962247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03658556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97171379E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.05928203E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62976468E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35829694E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.85124977E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.36256728E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51388549E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.53697107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61385847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.41051909E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96245126E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.95193446E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03070277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.64178247E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.04690209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00073032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00564871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.99110583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38362025E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03678508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.28336572E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03979990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.89567930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.63471830E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.08130750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.73365348E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.13246190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.05042770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "76": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.27257269E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66927915E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71679959E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17813966E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.07191080E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98939869E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83478815E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.70361249E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23711398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10760757E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06894071E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51580509E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89152476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53796302E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28856331E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52005327E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46990980E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37506195E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70496599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21605555E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43826749E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38210059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41986285E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04009529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97882878E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05700550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.21154994E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77568447E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91576003E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44900771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18512564E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39734780E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74559720E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15631962E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22010891E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.94253296E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35270374E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22763581E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86268125E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06911502E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36222180E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45052337E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19927405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12165441E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82394657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11914998E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67328653E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.73361436E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.51294839E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18307259E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06553469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.88568590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72513914E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.77999023E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59125352E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.96445694E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22945038E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.15283727E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11550040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.65242515E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13684795E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04579982E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.30670407E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76026356E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42818138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.22394460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.56592290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62200984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.09505431E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87447219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04746313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29277733E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.49326891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21493483E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.42927397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.42803266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19601762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11016202E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.55197385E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67846358E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17912467E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.81290373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.23296840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.16387100E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.74635820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.48681960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.03113771E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.59700730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.12347180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "77": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26557070E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66799660E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71455573E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17849771E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.08259290E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99782342E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84025972E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.74176091E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26566156E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12815094E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08306261E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60832544E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94932441E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57299248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.49903454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64635475E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54559286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41952066E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96745323E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38085683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53906014E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44301622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.76860402E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25156806E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10232188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12441609E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54664820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89433942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35966387E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61515649E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23132646E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48528268E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97869821E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22172119E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41766894E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05803433E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57111011E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30672506E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.16635447E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19315193E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.90010707E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69659438E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31678328E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18017066E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.12372161E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27752726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75850063E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.17824141E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.75262779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30848545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12927921E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17361591E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81009789E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04237184E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67125639E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04320190E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30076028E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32472136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17328227E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.88476841E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24112930E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09624763E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56278835E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89510340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50030823E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.60835220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77609459E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73446034E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.66615746E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13736839E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15376445E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.60978412E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.01737751E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.39283326E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01882436E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.79525186E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38412853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21080600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.09289243E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.96414114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31820351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.33544605E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42588700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.43658170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.85962820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.89938410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.32313128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.06628930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.19787600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "78": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23420892E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65899440E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68116212E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16484183E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02504897E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97530860E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83323908E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72993169E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27067310E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13512541E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08831873E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64294132E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97163388E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58715347E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58678103E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70062704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58419336E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44521405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13902372E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48666004E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60540936E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48571344E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.01886656E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.41202599E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20284608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17470525E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80381761E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00629250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76560267E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77078534E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27552443E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56816279E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.20810428E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28741914E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61867997E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12348863E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79653781E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38862603E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48115986E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32167481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04567665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95087586E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43802442E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24045191E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.43245977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44043695E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84606294E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.63428838E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99885830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43707997E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19413604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46504578E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89449186E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29907816E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74782345E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.12318142E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37262779E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49719416E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23101317E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.11612320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34473881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14629999E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.81679073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02888445E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57194762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.99126375E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98671881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84805425E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.23896247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.40065701E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26055379E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92319147E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.53390681E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.56761361E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09322089E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.15465796E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.56806054E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30913817E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.62207100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.24480990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45574803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.85551654E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61951390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.71388410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.97461660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.31925320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.06377326E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.54812010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.27365350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "79": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20722185E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65203591E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65791538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15623033E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99306481E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96414959E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83059018E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73616208E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28555453E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14864996E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09813562E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70796184E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01343252E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61404252E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76047503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81220084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65695654E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49025873E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41074448E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65028217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70322634E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54290092E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33768986E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60569283E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32465197E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23675190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11377850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12094928E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.19014878E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92996891E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32102832E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65072863E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44146920E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35503096E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82714630E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19172564E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03235178E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47444090E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81092180E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45606146E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10373337E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21538265E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56384824E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30289570E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.75225361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.60892673E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93652205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01043048E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25279113E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56950900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26038793E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76109469E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97865855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55119224E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82141897E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.20176656E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44781015E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67716021E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29106678E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.35609420E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45192758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19794849E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.07825792E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16631231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64540819E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.38347565E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20264263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96488353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.82342970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66732051E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36810745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.23160470E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.04603731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74042218E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16667491E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.50923691E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74952889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40612577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.14450483E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52275993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59267636E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.37589250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81456950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.99627960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.09140030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.74667040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.20070770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.05284810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.35082280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "80": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12469008E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63000198E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58135711E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12640907E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86684811E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90779773E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80369752E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59773549E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21024785E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10667513E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07455838E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.57522121E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93833272E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57096876E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50730159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65857114E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58020082E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45133810E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.23885044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61241165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68797286E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54467071E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.42550174E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69598090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41595084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28093959E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38447244E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24481117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65966421E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11919795E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38463618E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72039001E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66150036E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42173815E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03843590E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26214315E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27883259E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56495125E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16080146E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59916366E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16569241E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49810622E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69851209E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36974621E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09420476E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78828185E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03243813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06003768E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51996470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70842935E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32946819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.06782224E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06510308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80716257E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89365113E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.94572739E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56799497E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.96521969E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38730221E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74157103E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62484917E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28173466E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.50548228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39286102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76854909E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04625288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56392220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16373781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.86526299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17692814E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58951527E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91651287E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.70518113E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.96276315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26111670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.96664184E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98407780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53224830E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.82669725E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.88627997E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77363778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.12091882E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.11236180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.28244120E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.21003780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.18177320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.36258277E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.70234600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.42940060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "81": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08065886E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61819739E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54011652E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11035998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80336594E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88482357E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79728915E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59295390E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22230583E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12016222E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08528266E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65073069E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98842819E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60331928E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71523927E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79269345E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66890167E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50914461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.60893478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85695076E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84941168E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64950587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99556157E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04580944E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63070922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40669517E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10350554E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60605843E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16832538E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01391846E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50548720E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42753717E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14041033E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30688276E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04933497E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57357790E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29209962E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.93242075E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98386651E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.40802025E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75210542E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75737824E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.59182412E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.35233370E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27084287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20836151E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.46569645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54604117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93651311E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02935156E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47511333E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75810139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37743354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.43505311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35622566E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85719824E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24958305E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.76647740E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03881897E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46725832E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54761056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03554117E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.69737280E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28853172E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17228804E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.18961286E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34166896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80401385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.55801447E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.01774026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53510172E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23332218E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.69796609E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46388080E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.99285125E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64348470E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.39007663E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.19312209E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35882918E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.43981621E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.22692107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.66305546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.53817185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.27104494E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97350016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.08022357E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.52629430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.97511750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.85253850E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.57333820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.33124600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.62761830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.51887060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.50965810E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "82": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03798479E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60690745E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50158015E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09541152E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73747986E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85240024E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78043163E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50480279E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17656436E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09673002E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07363806E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59612309E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96529042E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59507762E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69510257E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79292554E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67978643E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51962899E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69502226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92454742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89250027E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68005206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23723643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22327683E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77804722E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49086619E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65783736E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97829937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36025214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89616920E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02344240E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48876065E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16821975E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41127699E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08859283E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72414988E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35125079E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17028736E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08204042E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82465553E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93487429E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84103284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99380189E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55452747E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37621095E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26467890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.77241843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71724457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03301293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08287874E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78253851E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93572621E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47773217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.01333423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63794096E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04471072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.97592513E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23675650E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29356064E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.06417412E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74121675E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11092616E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.02922099E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44704323E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25285235E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.61554572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57496541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93406179E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02760058E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42011456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76252810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35839970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.38064514E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81842020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06118956E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22035920E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00520285E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.41495533E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45275798E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.89365180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.45975469E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78845449E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.22196908E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.64266605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16866137E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.02167191E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.60408710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53085016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.77664160E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.86994320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.45476250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.08311870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.67461000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.59156270E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "83": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03119892E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60514899E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49460224E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09217826E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72286077E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84554484E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77691456E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48420218E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16392597E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08885196E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06852884E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56164908E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94187439E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57928191E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58800210E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71603844E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63672055E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49608973E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58643392E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93302357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90841122E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70043921E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45188226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39079397E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92544119E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57671776E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22623938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36549072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55529714E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79945828E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45161840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57163117E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20200125E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.53385085E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13288565E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88809084E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41393227E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41758767E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18252541E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.24851014E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12276827E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92853126E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.41674992E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76445132E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48295911E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32043796E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.07329278E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88439565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12684889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13562105E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.08939127E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11500618E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58092243E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.62751069E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99503627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21713018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71368957E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62026540E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.60564710E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.79426902E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97738965E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20263396E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43209485E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63926977E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35047079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.13190618E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85781649E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09198210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11516104E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.91228033E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04303186E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51355417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.22430784E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25039533E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26579892E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32978720E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07030290E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.63238800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54467335E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.33683554E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.68697240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91071064E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88941892E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.00681763E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.36158202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.95517091E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.67301970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.78625800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06023570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.01720660E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.58062120E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.54831390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.83062260E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.67512560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "84": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04132058E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60781395E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50296684E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09487767E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73598814E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85568070E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78562706E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.54972388E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20812353E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11623560E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08446488E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64931617E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98767414E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60218822E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69844819E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76533840E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65861795E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50451696E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61199521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96704287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92099898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70811312E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.56814016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.48420451E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02567504E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63701424E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.66086655E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73699821E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74012749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.67323249E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81143630E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70483094E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25428734E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72157602E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20167538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14740809E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51433022E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81666935E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34651738E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.94478784E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42681812E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06558607E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00588033E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07734618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64074877E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40231877E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50681654E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11869237E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25585038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20443832E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.46951983E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32581203E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69891908E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.30278160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38402297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39823852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47226927E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97645340E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94476700E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.58557164E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23232873E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30121862E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.86354416E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84457341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45444577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68140169E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15825297E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25967572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20861528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.43980393E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34518237E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68154993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.14193870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.72050658E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48634616E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.59814250E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13495050E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.84763958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63553758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.77420903E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.91113585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03125894E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05482774E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.36738054E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.55387945E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88738949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.21912863E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35539190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.04795040E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.70881800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.02315250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.98756630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.76034950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "85": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03482564E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60621874E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49836954E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09388542E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73977311E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86231251E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79228388E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.60618208E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25144821E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14664496E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10454999E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77583526E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06466756E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64794396E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96629450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92144919E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74964998E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55808898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93225315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14038576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02064999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76300850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.92098026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70496630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17982594E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72804337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.22656942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13080993E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93665037E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59565072E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17280060E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.80820295E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29759559E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88229312E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26152758E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.37471764E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60307011E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.17330592E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49335845E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05659290E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69918962E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18969792E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06453783E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.36400181E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78500036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47694036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.90307293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33302353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37341985E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26737102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81901609E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51776239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80703762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92798270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76241232E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57474650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.22057178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31266600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30243632E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04185084E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49974095E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40424481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.31289497E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05788923E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56221370E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25040579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46867205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43279458E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30548231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.98796665E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.65962865E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85695263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.10450738E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21483577E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71535619E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.74340720E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19973926E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.06254277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.72608505E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.20928786E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.13405247E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15110240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12039677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.72709106E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74673093E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08233409E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.72950677E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.82391640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.07925840E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.83938880E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.50772060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.14591080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.84723890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "86": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84798489E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55661447E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32787165E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02832277E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46297726E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73833194E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73395901E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32206424E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10893642E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07335353E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06600587E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56967131E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95281483E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58620869E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61735059E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70952776E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62643649E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48209526E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.44019334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90578503E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85826415E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64592887E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.43696688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42043507E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07806857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68144512E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.00631872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35448673E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06144330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.27636781E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58061240E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77708571E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30667777E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94562797E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29131783E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.50325792E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65743754E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.40364278E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59205726E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09965430E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89189488E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27873625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10714451E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.57491838E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89263780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53336179E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.20609431E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.49955347E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46562537E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31769463E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10603253E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67730712E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89843313E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.46659718E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11732737E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74318443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.95136360E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70607150E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67507519E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12841311E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77649334E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51038247E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.77379248E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.27595657E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67204077E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.82948435E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78401338E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60866844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40437654E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.54960079E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98257799E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03796235E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01041437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.73001501E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95078075E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.12296950E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26483434E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.27823687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81692888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.64528882E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.35732024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27103637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18603298E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.08776747E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.94090639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17660739E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.31008520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.45439800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.11111330E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.97231680E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.00019370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.30604820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.93579750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "87": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84196158E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55489550E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32052997E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02463280E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.44514761E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73024103E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73063388E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30943141E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10470458E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07234456E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06624138E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.57596093E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95949290E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59211136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.66647585E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74626472E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65685980E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50639792E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63135729E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04487758E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95248801E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70665602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88867584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.74936667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40996084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89469745E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04681411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33574655E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72443061E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35952190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30440000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95071293E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14641119E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11329999E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43524266E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.91216192E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36496714E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16654993E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37525890E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82822160E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78632351E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92795002E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81096909E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19362332E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30832703E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47003764E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19844186E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.02692163E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12357243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65512337E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89694352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90855952E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72188201E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48396883E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16682727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39962249E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33315518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20395993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63616073E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62575587E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18122871E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47761560E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36812410E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52390997E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23487907E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20215631E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18182539E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24611481E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15247688E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65436553E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.39821035E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57135609E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82080645E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.61576628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.21264869E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84920445E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54160560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.33391609E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.43818447E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29598719E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15583880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.55490414E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44408603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.86904540E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00829277E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47220776E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31948775E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.45835513E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89257078E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.00659061E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.54248602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37114913E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24246133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.42061937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.14407465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27780943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.99564783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81280960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.14359030E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.10772030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.05063610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.47114600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.02609780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "88": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80565570E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54524704E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28705247E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01159919E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39348648E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71281160E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72944470E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.36497948E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17673584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13502834E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11189842E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88090825E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15917077E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72294310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51443107E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29721346E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00187725E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72510500E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00277953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86476426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51299858E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09488964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19638314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.11440168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21057962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34582823E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31510348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77422309E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61549960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86223187E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47483700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23951224E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56556662E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70079540E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00564657E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41078956E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.35017805E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44751581E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11458884E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90182872E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40364943E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01125681E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28002327E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69223184E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64671585E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28291666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44582958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33762712E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76771530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.48098978E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.19333028E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85329696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53238118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31968300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38897906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30318048E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17321581E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01525933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97087111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47749661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00679983E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77053641E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24964369E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98663843E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.73211611E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37211900E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54949200E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80458301E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.04257989E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.87334073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97153465E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04071526E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.64127047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08907736E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67890972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.11756466E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.89199077E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55374053E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30158105E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.38505218E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92330385E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09463920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56605274E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22407157E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38629006E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.67836732E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98496918E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.44903607E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.76903467E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49302970E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30959204E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.79505201E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.35161155E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38210100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.68426794E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12848990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.75932963E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.90391359E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17654310E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.24563800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.10210400E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.63971880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.11813200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "104": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43339482E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44542257E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92783051E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86157265E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70303447E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37210606E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55238304E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.40277733E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63810752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82919868E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.38443797E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89935844E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60032647E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40182542E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65258901E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.29205393E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47448016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47817993E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41831865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07167575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79557620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22873222E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36628940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.27030324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75217932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70240318E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40890629E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.57692036E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91452982E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45524295E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73341156E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04757109E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29724263E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99526789E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95722838E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.69005282E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41496393E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10363015E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56129967E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43974565E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00348062E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.58141004E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14623566E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.26685118E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50735731E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23489428E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27082146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26952714E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74430448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.56520074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.34738584E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98748688E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69639321E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62048229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32144456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85304913E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43794521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10381214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35122020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36221556E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41655070E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10976844E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10075421E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56254223E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63375148E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15652514E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.39951042E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89152438E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87053951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.42728436E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31487359E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24875608E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.89908976E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84237544E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13025894E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18906146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.52695937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.45888811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74357819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.84117000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32025608E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31131946E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.77935814E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23372249E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89294807E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.29735510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.65332558E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25272597E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.30109575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.26958925E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.72120081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.03305849E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.60870045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25608948E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04370725E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.44667814E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54737747E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.30170310E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.78372840E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.76360260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.04958920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.59310920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.91994760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.73934680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.38568880E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.80652420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.90271520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "105": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.40728852E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43844828E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90342084E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85183226E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66081454E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35261228E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54328700E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36212097E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62246752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82506544E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.38636424E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.91029792E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60942888E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40786423E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.68279220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30840883E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48224724E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48260196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31594181E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.06386968E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87192153E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24809527E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37652007E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33514117E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80674381E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75370492E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43394999E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79105391E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06880244E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61264135E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39060019E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33953996E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41088425E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.05749681E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99668836E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87291743E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49521180E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.45075144E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71148850E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50512143E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29068771E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70896450E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20363093E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52951351E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63028098E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29398936E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56303937E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41839437E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82262318E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.98828665E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58580576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12372824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77459345E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00786175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58330612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00144278E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52268388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.57781843E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58067590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44601802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72195883E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21217882E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51187905E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65386246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84109970E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21996884E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.62968310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98593198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.29574876E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.63255258E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41969027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30444320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.20599299E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.01486855E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22681972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24474335E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.84932839E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64214160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84917574E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.43541319E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67591123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49585460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.59984349E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71942749E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15079441E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.13573384E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00221658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42048975E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.16468991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.74351293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98593646E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05561971E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.49316177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.75141357E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30708739E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.68487393E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89553000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.33993180E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.82537500E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.94024350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.11628250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.96674980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.08478220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.48274720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.16486580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.92550900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.16995090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "106": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37015508E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42862476E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86971296E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83902830E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61193141E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33581566E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54060578E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39351117E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67221519E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87233467E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.76219019E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18531173E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80473092E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54650412E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71339680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05200678E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00985878E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82754267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09697741E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74317711E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08892500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36653796E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44602381E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72908632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98996626E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83102239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49786978E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08993644E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21912852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75867785E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.01715178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61857986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52052824E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10829795E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03325099E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04902863E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57421454E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.79767014E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86327182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57175754E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58537775E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84051334E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26304767E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.80212072E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75805666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35547342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86725827E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57340510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90389142E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04221598E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82679032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.25925377E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85156754E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05296572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83771666E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14538753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60317400E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.02501365E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79416514E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52212785E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.98676265E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29701555E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28905019E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75181013E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06305161E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28774806E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.87510627E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08639824E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.74761613E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.85057732E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53101246E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36359541E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.53180605E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19770366E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.32897576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30359054E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.18978824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83600365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96144417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.07961982E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03481958E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67356314E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.37350323E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08726899E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.35440516E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.79319454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.27478709E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55092014E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.83425739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.10988587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19042230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17318986E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.17742092E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.13531785E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51280755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.67468778E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23435531E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.25213350E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.86806680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.11936420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.18394290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.34030880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.24973520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.28037710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.38929850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.04620550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.43875960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "107": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36872902E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42811840E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86605883E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83622803E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59351143E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32474527E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53415223E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35333654E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64576553E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85579856E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.67819741E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.16023880E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81291978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56655260E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91132504E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17373067E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06352626E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84944998E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15732127E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22388752E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40772245E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50374395E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52643219E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14262214E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23480146E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97264953E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55993640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41166892E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36077369E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88745592E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59103837E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88087935E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62955554E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.19248649E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07982421E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.25795973E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66478908E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01876890E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03180388E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64512552E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.90788619E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98382479E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32753124E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09688395E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89565197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42137542E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19168594E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73782311E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98974808E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08785039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07955197E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40081892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93170999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09952704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09926887E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29272410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68544740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47433877E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00582341E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59697016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23683478E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37303511E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17539052E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85077164E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28714110E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35610367E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12222569E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18736181E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02006516E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.06863079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64205986E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42248407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.85540502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.37891084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43027750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36198606E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.52815906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02927918E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07405902E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.73219523E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38884727E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84590721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.11874627E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41024155E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54320043E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.39986411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52566820E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67055722E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.44754123E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.44469073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37724964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28056645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.80189342E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.48613058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70216723E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.60118968E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.57443342E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.04397480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.91153830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.30098120E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.25258390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.71507690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.41536500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.11364280E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.59778900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.16858030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.70939440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "108": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34404034E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42148893E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84236314E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82646808E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.54973182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30390780E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52365155E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.29582964E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61170428E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83440821E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53399927E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05504650E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73503867E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51305864E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58623155E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03073774E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03275693E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86735548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15872834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24188595E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44306039E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54061305E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55227309E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.28378505E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37610095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08251825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65086240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96586450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66961764E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02891717E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23119688E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16481022E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74792054E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25254367E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11942715E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.44649094E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74929720E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05596960E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19509363E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71704905E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22691476E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12658558E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39210383E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.39312205E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03424605E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48783970E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.51912283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90378781E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07648226E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13413182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33621412E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54442354E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01273212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14649093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.36265296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44202126E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76929877E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92588987E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21545305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66848750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.46716262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43988343E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.10450397E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95200461E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51596202E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42571806E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37309975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28953107E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06577951E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.28820699E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75368585E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48160007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.17963096E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56011813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53155044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42033502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.86601159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22250428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18701772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03904030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.74044302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01542124E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.84852668E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.70957059E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72563730E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.98368357E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.76657984E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78511399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.03425808E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.76440471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.55565695E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38304049E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.39676664E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.82067555E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88382132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.50003364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.91587655E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.01747770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.95572300E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.48508790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.32218810E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.09207020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.58208670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.97184500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.84681960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.29265740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.98210410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "109": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31891733E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41454656E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81607692E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81482325E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49179108E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27207976E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50514813E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.19293225E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56311483E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81750343E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.50513217E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06938643E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75511549E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52432007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.57460963E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95728059E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98049525E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86955244E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13665743E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03189745E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32026814E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46378911E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51132999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31091146E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37276901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10243454E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73794551E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.58617732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06106018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16423936E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.82542950E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42890695E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87061717E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31371678E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16000842E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.64074475E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83674676E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09462250E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36556083E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79251953E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.56322211E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27760106E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46054569E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.70716086E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18091886E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55797995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.86369016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07802906E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16730375E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18248595E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60419051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69470017E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09752257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19567527E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.63769920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59773135E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85614162E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.38764899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42851270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74146223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.69512862E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50276988E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06136092E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05704993E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.75331407E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49765522E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63042634E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39342782E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11186831E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.50778740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86447033E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53990408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.49767856E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.73720336E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63050328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47736622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.19692412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.41220866E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29841360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10438868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.08669045E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18175539E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.56518438E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99250068E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.90565305E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.55746045E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00277651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89707715E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.60682211E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.07565016E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72922762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.48262377E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.97370273E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.14555212E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.06116894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.38508567E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.25915495E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.92862770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.00058900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.67167350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.39275610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.47200340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.75019800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.85499040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.08829130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.41842260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.25710390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "110": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34187440E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42072304E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83705299E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82243492E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52340844E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28713088E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51343205E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23670133E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58048610E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81916816E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46320177E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01975999E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71165870E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49136587E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35008337E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79088731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81522009E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69804567E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12397757E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.45352698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71605917E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71017917E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66347701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91337612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.74628855E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28607033E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77399509E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55254319E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89940448E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23289256E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02177679E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64522004E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98062980E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41883056E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21374996E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.87796938E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93943547E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13901407E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55828469E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87673483E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93446576E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44294075E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53505429E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04779977E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33958813E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63360284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.23321488E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26347505E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26313981E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23309953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88250051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84948328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18416499E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24567385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.91594967E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75520316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94350834E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.84749985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63913310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81244131E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.91092335E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55981532E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02765939E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15699518E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.97865775E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56614243E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.87723503E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49382207E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15666719E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72228148E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97309783E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59722780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.81064178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91141587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72788205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53345110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.52184020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59893348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40846087E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16939590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42973782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34638491E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.27361831E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26574630E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.08430866E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01250762E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.23602108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00738788E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01704543E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.38148797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.89971334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.58032416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.53858639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.46404390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23584171E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02627147E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.60448112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08577830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.04612440E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.86077780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.46429950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.85554490E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.91997520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.77044600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.34069250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.54588490E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.53465440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "111": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29536080E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40827098E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79330180E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80489940E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.44598289E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25110442E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49660020E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16160894E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55257872E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81434228E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51727944E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10816105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80378778E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57379766E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.03797861E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25973907E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09463534E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84777005E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18449002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.67022794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85353685E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90026608E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78961671E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07237547E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.24619916E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60249420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97223256E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07695145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60675514E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47111768E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12196733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04188023E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14047100E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.45323700E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24620699E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.04854786E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02017251E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17589897E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72476024E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95167691E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27269583E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59637998E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60516724E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.37157277E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49152923E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70649966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.59200506E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44491571E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35764320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28347399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16145081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00570890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27198008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29629681E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19876783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91632414E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03395752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03205937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.85533795E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88474453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12539393E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61387842E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00685335E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26367516E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.21907228E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63892901E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13760211E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59883605E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20313141E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.94294658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08400849E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65538892E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.12658148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.08667641E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82567944E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58969074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.84722320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78559688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51821970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23428946E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77030831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50949978E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97632043E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.53163517E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.25997699E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06812669E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.46410186E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.11508393E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07208098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.67983865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.06614891E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67582114E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.09196591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.77743980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40878684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11374688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.95235725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19464490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.09231360E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.05237230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.53680870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.24309250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.09157760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.73225560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.63942360E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.67505050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.81487530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "112": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28389212E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40521807E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78180836E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79948430E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41886022E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23823867E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49197681E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.15543894E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56108459E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82523194E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.61243470E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18125511E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85477532E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60672189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26857498E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50415392E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36757664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10314095E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31656549E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20063162E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.00791740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90296683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78393463E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08011189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23563614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59463200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97855145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07147041E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51185273E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52949835E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15935551E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25697150E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31320980E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52229832E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28950204E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.25561721E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11409123E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21781106E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.91121742E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03480680E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.64516614E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76433472E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68150313E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72224217E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65513678E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78446385E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.97283543E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63598487E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45630365E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33548904E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.44586477E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16274035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35940387E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34629367E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.47661555E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07452434E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12232559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07791448E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06380962E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95321250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.32264038E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66155757E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98613341E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36670187E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.45083633E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70890942E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.38733622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.69943034E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24764497E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15471515E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.19072065E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71149871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.43183159E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.25615717E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92047727E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64429163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.16358297E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.96826487E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62632050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29862479E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.10799317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67149237E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06753088E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81917205E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.44007924E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12499017E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.69679883E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.22451893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12780880E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.98100587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23377361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77154130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.64214729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.08792571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58030520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20082206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.30218881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30576120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.13915630E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.24655930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.61033030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.63512530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.26520630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.76734530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.96449580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.80594920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.09798200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "113": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27159881E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40170345E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76778279E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79291600E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.38362503E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21609054E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47575178E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03008499E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46355861E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75040258E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04151431E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75155764E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53569280E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37307481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53407402E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20525560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37971882E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33997226E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83762095E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58141239E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61382130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53690922E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.01634950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03290864E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60471895E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47729786E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64021574E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18793274E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44927938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20374421E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18367500E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.99229360E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57573476E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.63528874E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75225900E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50983078E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24796520E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64954343E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14928246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09507122E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30970836E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07244246E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11250011E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50664341E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26359688E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53959609E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.46068271E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86375064E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02563592E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.67265709E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11799672E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75607157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.61375858E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18261559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70000696E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35903335E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31026021E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48336714E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85455071E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99758777E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47611030E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49459133E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.73867961E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79593724E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.69820078E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82465111E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30302626E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.41786842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32315562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78108202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.81035833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46614915E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03734871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71131806E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.54996715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18568536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74758765E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36393206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.36450687E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.68694583E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.18405462E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12147460E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40451400E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.92266206E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.32140168E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56372504E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.86342925E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.08510540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16226344E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14209456E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.87910766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.92251539E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35071410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.05357521E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77051730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10788550E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.18501726E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.15617630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.51416570E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.03872220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.44541440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.10279190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.85201050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.38587330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "114": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26015314E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39854891E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75565477E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78732629E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35602078E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20184992E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46843637E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99306704E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44598878E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74302720E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.01905638E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75120557E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54265333E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38097138E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.60599474E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26022245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41897784E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37016296E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02769780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70339850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68880837E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58309151E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.32490334E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22420788E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71780975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54915471E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.10039972E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47906300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60728013E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82641022E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62192660E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04686148E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61308592E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.82493471E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84237369E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55166858E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44049664E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73790984E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18988128E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28215677E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39630291E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11278479E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30242840E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59749659E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30793737E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.76092928E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57394374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92323957E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05747577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.84618254E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21365018E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81044858E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.91700346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.35338565E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79434538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41336789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61935067E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60399813E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96204817E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55595335E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.22274860E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57040334E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.90778208E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84637448E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.87553608E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89496189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33359826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.56070468E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39372378E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81741871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00034727E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.57127474E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09586726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74425561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.73473056E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.29280001E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81196786E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40463207E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63145174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86560315E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.86662349E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81442700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54209325E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.36181318E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.50212610E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64916395E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.29821377E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.31890173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29136879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21498675E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.29107092E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.15249841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47579818E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.69645516E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.85333690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.55390240E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.23307774E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.35479400E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.58886560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.44934280E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.62919300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.20334580E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.98572300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.67782090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "115": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24889988E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39543714E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74358069E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78166804E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.32722458E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18633822E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45993048E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.94599762E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42022640E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72910096E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94571063E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71426100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52535697E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37351665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.58243148E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25652182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42332461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37789001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07284289E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73171230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72987594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61036538E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53793956E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37576966E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81508265E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60876272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50489539E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77207800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76056297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.45114508E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96488010E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.11415673E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65859504E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00556461E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95207538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60272459E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.67645003E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84683742E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24029049E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51648777E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50587001E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16438916E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54794083E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71605544E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36632600E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.05508081E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72597479E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00386560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10085887E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.08535137E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34604235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88629989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03532548E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60290994E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93876662E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49606870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10349443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87230274E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13586668E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14924363E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24052910E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65009693E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.08930872E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90177994E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.07387721E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97477279E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36875066E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.72683772E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.47670328E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86061290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02356352E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.69897818E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16742822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78505096E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.96749831E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42827413E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89258948E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45494095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.95747515E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07845519E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10493343E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62623680E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67532062E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.78563363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67616373E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73125757E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.71530985E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.54292446E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.41497123E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28473613E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.68598503E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37378558E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59718550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.32105148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.86933590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01052670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.28177235E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.55596590E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.66455780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.86695310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.81643690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.30282950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.12116530E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.97372580E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "116": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23782829E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39236248E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73158960E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77602240E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.29846329E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17086776E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45141631E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89804744E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39304996E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71371877E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85940622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66541385E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49715509E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35689957E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49487751E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21010082E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39974251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37103272E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02454373E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69871838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73603846E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61330884E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.56659604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43202011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85690773E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63046845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.70770654E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02632239E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89553537E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02275885E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26281170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.18846193E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70887639E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03118856E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07465431E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66011896E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94315573E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97055460E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29776005E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78418008E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63102504E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22321973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82689639E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85020292E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43208994E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38471488E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89540685E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09317097E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14851360E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34628599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48887032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96730471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08150612E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.86527652E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08968066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58217743E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.60788432E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16166945E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27759257E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73994779E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53022270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88618616E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.61867039E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06123777E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64191493E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20284932E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46936690E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.20425758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.71701405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98719159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09269598E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.08408842E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38207846E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90949786E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06964629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84421118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13077416E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58741635E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68994389E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.45463665E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26581305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68617240E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.80612263E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.20053669E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.84620369E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81129166E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.12133221E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.76074492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53506837E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35248785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.07012125E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.58966038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71638381E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.93496557E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.06775240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24118720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.33110326E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.75966430E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.74122320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.02914380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.00702390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.40186230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.25833580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.27359040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "117": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25920449E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39787655E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74867098E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78121512E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31363865E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17401995E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45112450E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88759041E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38327961E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70606893E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80429257E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.62950620E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47664248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34663116E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46247261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21381399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41778720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40569710E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31793185E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93955561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87468979E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70749829E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00522684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72688489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02029726E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73636192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.32921938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38926567E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07779317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.77632229E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54284640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.28934205E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76496041E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05792477E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19810247E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71661308E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.20133863E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08881295E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35218727E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.03617722E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74843203E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27827320E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.08722594E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97492401E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49292818E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.68792029E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05031963E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17433245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19168866E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58178806E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61829562E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04080421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12342402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10370292E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22627225E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66150905E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08020682E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44252638E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41372447E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.31481958E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79837230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12045231E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.14672651E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22105255E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21254990E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43227294E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57064533E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68500744E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95885837E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11451384E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16204078E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46979498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59849316E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03515140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14335465E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.26602894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37292288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72336847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.44325586E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83551412E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41794524E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.35421900E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.93563347E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.60999230E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.01369025E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88998406E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.52015467E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.97451126E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.65287068E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41893035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.44719463E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.80207016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83426979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.54241563E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.43336790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.68494580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.38107457E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.96588730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.81886220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.07227520E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.20088120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.50085240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.39721930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.57737450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "118": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24829947E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39484494E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73684339E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77563958E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28534875E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15892600E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44297065E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84292906E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35890318E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69284482E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73226428E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58831482E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45180201E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33079064E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36318594E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14574957E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36983112E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37043730E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03160527E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69580410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78607743E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65135652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.78413265E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63395830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00757843E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70887779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.17009847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54459568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17125866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.20262300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85753680E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.35325333E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80944775E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08103957E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31021192E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76971547E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45064127E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20544916E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40668494E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29079454E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86757613E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33424951E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35218988E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10186595E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55477667E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99548803E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20694480E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25603267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23495363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81682191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74685165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11337803E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16445616E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33507489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35723395E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73775679E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.53233524E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71461208E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54480807E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87591573E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11351130E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37637694E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.72323690E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39530250E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83344108E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68119517E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68017334E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.20333430E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21876374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25102266E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23613283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88142235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83084288E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17005480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22247587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.71995940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63412468E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87141360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.27211076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.26175850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60438079E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.77708090E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.06489942E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00176725E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.18016911E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.96805885E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.91536067E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.18610418E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.76938856E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.48461775E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.82011240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.01242935E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95144031E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.14623710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89891090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.28736030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.43169809E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.17466280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.89748790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.11609730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.39800230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60011630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.53782520E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.88513390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-aae4z.1.element.json b/basis_set_exchange/data/dyall/dyall-aae4z.1.element.json new file mode 100644 index 00000000..50f73565 --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-aae4z.1.element.json @@ -0,0 +1,450 @@ +{ + "molssi_bse_schema": { + "schema_type": "element", + "schema_version": "0.1" + }, + "name": "dyall-aae4z", + "description": "Dyall's augmented all-electron 4-zeta primitive basis set", + "elements": { + "1": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "2": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "3": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "4": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "5": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "6": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "7": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "8": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "9": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "10": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "11": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "12": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "13": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "14": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "15": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "16": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "17": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "18": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "19": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "20": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "21": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "22": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "23": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "24": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "25": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "26": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "27": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "28": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "29": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "30": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "31": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "32": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "33": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "34": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "35": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "36": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "37": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "38": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "39": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "40": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "41": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "42": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "43": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "44": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "45": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "46": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "47": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "48": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "49": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "50": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "51": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "52": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "53": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "54": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "55": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "56": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "72": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "73": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "74": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "75": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "76": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "77": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "78": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "79": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "80": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "81": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "82": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "83": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "84": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "85": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "86": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "87": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "88": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "104": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "105": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "106": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "107": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "108": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "109": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "110": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "111": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "112": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "113": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "114": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "115": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "116": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "117": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + }, + "118": { + "components": [ + "dyall/dyall-aae4z.1.json" + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-aae4z.1.json b/basis_set_exchange/data/dyall/dyall-aae4z.1.json new file mode 100644 index 00000000..d2ad7513 --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-aae4z.1.json @@ -0,0 +1,125924 @@ +{ + "molssi_bse_schema": { + "schema_type": "component", + "schema_version": "0.1" + }, + "description": "Dyall's augmented all-electron 4-zeta primitive basis set", + "data_source": "Data from https://zenodo.org/records/7574629", + "elements": { + "1": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.29410792E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20952722E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37359117E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80348626E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21810233E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32951635E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66557370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82099274E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93685011E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31152966E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89277250E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79956932E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47030934E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92601346E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14026390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44996399E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70913732E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59764174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44846445E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06034002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.14466631E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "2": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.62391395E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43456284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25522457E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.19962178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99531480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07885465E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18149637E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69909998E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08089586E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00340814E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27163555E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.55680995E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25523565E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75378224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41950551E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63323856E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32782104E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16419965E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66775379E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.68495795E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.96282008E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "3": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02620924E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00216610E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82441496E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93772327E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.34724363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30242831E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02607500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76314466E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64890261E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51150713E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51808159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68069754E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.15050038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91800255E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16708232E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19863265E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68248114E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44097081E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73116489E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34230367E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97429533E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57540731E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89923834E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75836213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.68205983E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68848934E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16877207E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41143589E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61293523E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26902613E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44720538E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04114144E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96344231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.17431693E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73685930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58055556E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11007926E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.65630176E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.44471203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.34012231E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.94979212E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "4": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81236023E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.05482945E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74441011E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76366176E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50836569E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31555968E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03365963E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30420060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57401677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60416933E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.43414730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53276299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71482427E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32460168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15247113E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18909658E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51071595E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01994549E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27052370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23647563E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16307349E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74157405E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81946204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26613377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30144943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53363164E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47698185E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13617123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28208601E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43754077E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.32282824E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00894161E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.70204672E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95528245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.70483711E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.64789363E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78482656E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.45949584E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21947584E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.41414564E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.77918377E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.44911267E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.81496257E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.02897899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.66036429E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "5": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56072387E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07166186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36847494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.59103521E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12590094E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61584435E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95427652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22051893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30749252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40605463E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12712665E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42574602E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67396455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32316932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54225866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57775620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18712909E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44384317E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05813504E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95538684E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60198960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48258236E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52070355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22648436E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.60233816E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32053028E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97221154E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.04348027E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06776999E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22203416E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16794808E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04321412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97271011E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84044416E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42913684E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.37149848E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.93492230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.23442122E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.60219107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14943623E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.69308844E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.75825838E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "6": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26268487E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74102250E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77618328E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03585910E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30323200E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17250655E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51364407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85292100E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.01669725E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62052485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69163336E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12780068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99859083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97704309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48640354E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91971299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78931125E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08400011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19245583E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96739252E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94271220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23141066E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.32416976E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38203166E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46735388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.59318241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97908003E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33893159E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85889413E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06012586E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61104371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32268850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71847043E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.27755698E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25243609E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.06455777E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.82463356E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30323947E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.45546349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47196467E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.84486214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.91350122E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "7": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95972410E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63056820E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60179251E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51628054E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78777893E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68623836E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44956202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63305439E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13351501E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09613531E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37238710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13682901E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58093751E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75561050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19893791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51424479E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50092884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11673224E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38271659E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16480306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69044493E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10755074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16030141E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73548469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06082734E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.24118820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14302025E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83471522E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.86226308E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.91237655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.32535679E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82020518E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.68067932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.53742571E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34244982E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05890310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.88242061E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84938429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.12719664E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13284646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.36664075E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.44465221E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "8": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82110194E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70802358E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.78252693E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08499989E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53030648E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28475263E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69158390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53281438E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51560748E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79636443E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15825334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51161224E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41252254E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.65639590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60311717E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35223345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31917485E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46867134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65659777E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56556652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28743045E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11855656E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53816912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29534915E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74383290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22777515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46974669E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39427019E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00895329E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81825895E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.31116920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39701166E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84112015E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34475982E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.64969282E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54463167E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.10774197E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54114713E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.36302879E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.10694347E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.82371624E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.31600423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "9": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92989578E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07414309E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04991421E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78240051E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.64295029E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00459236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13715020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60226924E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96701021E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79209496E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07524249E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94676696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53016962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69380633E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06704175E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45688519E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25166909E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86632476E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01872274E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19437728E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65337612E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27421047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96900393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07164123E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51998340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57165089E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96432022E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01942633E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25472021E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78502845E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05660810E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05231911E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.17582586E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79379981E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15447821E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07972205E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.49937707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.38825162E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12227610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.48423006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.35511778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.49060905E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "10": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23235171E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66705732E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36393713E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58269175E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10534651E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82235448E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44058430E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81026720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47607527E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10399273E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10670602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43548280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19040176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85449618E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58554259E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18045354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28945797E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30669403E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.70885130E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.06824311E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06908062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57907421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45395500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00674062E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39008145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95593331E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62704459E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71023085E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52357572E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99658053E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31123264E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78537342E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.66783552E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29530804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.83707779E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.80017811E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.07740867E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.42542506E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49301485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.47205827E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.95807958E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.23115921E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "11": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34346485E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04845356E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17887484E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59701263E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85076947E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65471915E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.16653694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46467076E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04252868E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.62206362E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13229121E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01720084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99001210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50700757E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28253461E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.58105506E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17972129E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54625055E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49671871E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58289717E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66568880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74378679E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21082437E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64314843E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49370006E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61937950E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69443651E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76705653E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18596745E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42278785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82238897E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.03267762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67036139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68581545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66755747E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38279701E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83941405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00019127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53783723E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17159879E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05454779E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02175940E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56468854E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56882093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.29169375E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20046609E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12370706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84493095E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31560035E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.41887396E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78250392E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.92486864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.97038162E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03417288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.35084841E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.30593565E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.09105916E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.12290222E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.81838645E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "12": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35066558E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50833262E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24126686E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39481998E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.27285420E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47844524E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.22210839E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67895560E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55370766E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88160618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17271474E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51308126E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.42309250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72979057E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90942491E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.81284448E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76894306E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38220782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18180608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79289051E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34606523E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93274023E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05880693E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17299767E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48900810E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.08299837E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70660667E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85511108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82134503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.76099376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78550969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23129797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68310540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65961289E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24316856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.70032114E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50916595E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16027227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53485119E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.29702126E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94843899E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.77999084E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86972903E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.44577448E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24019006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32664645E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55717309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.39168364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.50872921E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41719937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04087796E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.42390143E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18229542E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.72043432E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.69353583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.91205128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64757579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.82366042E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.05746962E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.40931133E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.28876681E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.07048307E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.23864231E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "13": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12228873E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.74446770E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19350635E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10634794E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.44078490E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21498729E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19495547E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76098314E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00755578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.87669181E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08670697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94741042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55290823E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80131604E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45945315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26681170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26736410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18276645E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60837367E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07843666E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26463023E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69727204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13328412E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83113354E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39807418E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.87876942E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.17737267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51393572E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27759266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81467328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68656925E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.81729455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69397636E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75418419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.24109385E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37203071E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51203602E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.98916466E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19299553E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.47193370E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23642300E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.47354177E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47629461E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.47056729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06517185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.81970684E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66918250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97951281E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.98372237E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62619439E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.37598524E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02513776E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.63508348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.23475289E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19416693E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83361732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.09054245E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.84130597E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.57773149E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.63854018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.46779829E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "14": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85467489E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99085388E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47412421E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85796237E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17474719E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.00328743E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48825536E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93019864E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50076720E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10572281E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09020704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42550033E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18982444E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97979441E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06347112E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58091260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.93367342E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06176718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07436018E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05670859E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61555303E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34629060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12288527E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26093123E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09383447E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65198419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15527414E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50044713E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28186100E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25257635E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31969297E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07793637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13198453E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46543428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18068603E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22196124E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31364388E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96677407E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18722126E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49602268E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59736848E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.53131702E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80627419E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.74070763E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58794436E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33200572E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.85578592E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82256465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14328827E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.99380015E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59832380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28389074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.58840330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51816042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.02312223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88700108E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.77919788E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.45614854E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.94340326E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.46635512E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.81823834E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "15": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52293110E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28322623E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78008817E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69940013E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43632843E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89924934E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82064427E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24780062E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05309768E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34845366E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20028262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95080128E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44593849E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26159230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71991785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92347118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.76504231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01977779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58297034E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32888828E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.06565916E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05022554E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46017284E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.81945679E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76483264E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.21914685E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44333722E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32619195E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57439586E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.42919808E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83457603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31728648E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.28739455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03857319E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46830159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56336140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94246012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28025978E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.39664614E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05584462E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.98952112E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.67124065E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19334972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.24156726E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.19425066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73400740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.41310495E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85426344E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56690601E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.66322861E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83876075E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55159605E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.58897874E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91460154E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.55879944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.48317061E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.66717135E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.02369538E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.37602689E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.51482785E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.35525061E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "16": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.16142169E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55349922E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08810652E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55882955E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70641299E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83366896E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16939128E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63388070E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63489325E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60453832E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37477737E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50896037E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71941864E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63670487E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42689156E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29371521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17463048E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05205208E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13304794E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62391529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61686339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80859138E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82473150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50535024E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44462640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.03084619E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76773927E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24200590E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89571039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.71319672E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39398360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57657053E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53785266E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66077206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78358081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.09551442E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65346863E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59654049E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.72760698E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63342090E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.40658652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.88962278E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61709431E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.88686246E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85976446E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16669801E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21628672E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.99691216E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04556723E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56566620E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09750531E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84368354E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.68333593E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37506899E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.44032496E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.26935913E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40413194E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.21817990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.88654327E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.83982065E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.02365835E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "17": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57549748E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05505721E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34810198E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30984833E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94630345E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66885986E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48343210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89467592E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16919299E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84125613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46371640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02676431E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97306396E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91320008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08507380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63925821E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35745148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02604762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66650895E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91688614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.18557916E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58016383E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20163264E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02703604E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12693793E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10603118E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12273861E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.22941754E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23880618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07499825E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98444333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84920905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.84906913E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31333579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11550066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74287592E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42023614E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93766710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16023011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23096823E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85498341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11937796E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08042283E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16874616E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.58745962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62733533E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50473062E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22652869E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56939107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.66530552E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37330283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15938215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.86876893E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.89242835E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06320846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.24643518E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.08949838E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.42916212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.46071387E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.38011330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.79040177E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "18": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.85215539E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14581165E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61489322E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13969697E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22576950E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.68069029E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87439431E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14930973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85538873E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14863608E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89287173E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71310150E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31197392E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16265790E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96922305E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10429980E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60841103E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31212016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.34632158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27765183E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10367621E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49392119E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63911657E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22771081E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94440172E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33252769E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51083167E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29359409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60514279E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05195604E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60777360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13586022E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02227464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99563447E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46219755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14855846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23532082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30132468E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.68872887E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.96410452E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33096108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25781205E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.58311790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36481024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.38362527E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12760327E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81697309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56227967E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13980610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23476411E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.66428885E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50064473E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.15369351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.46933087E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31490711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.46331140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.10939690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.65758742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.09341564E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.01086986E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.75157703E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "19": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13549079E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44783820E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74102681E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11254518E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31996593E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73831411E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08936224E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53987752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96582161E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.82413497E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.09167182E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95290834E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.57195763E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80522934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46322913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28634800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82901191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66685108E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97172682E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03503073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52191217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96049023E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52677330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.87029581E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97742364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97736337E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.75891610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82402564E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49678036E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11473059E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10653406E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49278511E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.29525076E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50639829E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90192154E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29542856E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00261635E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13634900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78926839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72686327E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37197897E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21807594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35814612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35039295E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74571205E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10471140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76562732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52410076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32673865E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66889679E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79319352E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42877973E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38139415E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27811479E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.85180750E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40236500E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.49580830E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62847130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.26195670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87798318E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13950837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.70229030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63280260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.52412988E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63333825E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.41121696E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.97286390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.64491020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.86983860E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61969149E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.99098690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.42751950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.06891409E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.92107759E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.91000750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29553834E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.49857020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "20": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04228680E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16345113E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82914701E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81107753E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29268529E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38191278E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65204830E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13021383E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84974996E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61449842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14723826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05304085E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04058386E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38295107E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83526157E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51710612E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22848822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50766318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47464024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31922150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18284625E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95343272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15504707E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13150218E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91667373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04283911E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12958451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57966129E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36436457E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69852566E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77469743E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26579828E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99250811E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01201931E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62941937E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.20126371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62087687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19192000E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72247713E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86053748E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46603651E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.64564826E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03210840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10677559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09079258E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61328900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86357468E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29433694E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32649059E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03511566E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44643293E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.17935013E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.34469860E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55526690E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.11827140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85863020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.09873647E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70417082E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.56538402E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36206950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63218424E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.17542957E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29192334E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.29550310E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00576600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12636170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97600263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.74015401E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.14450020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.99058802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18385168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.74741005E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.17359170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60298687E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.76716670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.86062450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.36690914E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "21": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04694391E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26845735E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32491991E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01593035E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.12695186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71976789E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10393775E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73026015E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12699122E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94620753E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80111360E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38336815E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21307065E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30543985E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33370352E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78751851E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70331313E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31725155E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91774117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54885174E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43494627E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64290702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53694524E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31789957E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84545000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48586730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31924554E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53869419E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77290281E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87205318E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.94184039E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59253008E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47033426E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09369459E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94921871E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.33442949E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07686365E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39242267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66183922E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32249528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70099871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.86934981E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.68053991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44757107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26696168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50384966E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29768774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47291316E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.08173966E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34872417E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57397767E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.15945857E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02572229E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83869110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37497256E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45777705E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.65777659E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18655042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56324644E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.63867006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67357935E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72864587E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.89625633E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.44155142E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34711092E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64885250E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.47453546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32610698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.34575417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55104026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.26351076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35352306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.29698615E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.44728397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.00363825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.02699687E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.04605908E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.21534746E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.99603610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.63681233E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "22": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08249475E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44527181E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99869767E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25526531E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99949246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06372142E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25038087E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36667905E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40362397E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12070599E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41881953E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69614015E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37230189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13571503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78108239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03065213E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10154897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02390005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29884618E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75369047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.57312795E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28075846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89004489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50824452E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83930834E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97882926E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50008087E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45476199E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16565237E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03821881E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29663677E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92874603E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96375850E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22403881E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28977209E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.55831503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57038782E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60860327E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66997291E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81645608E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95189652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01773635E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37497060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81491583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45721728E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45969867E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75774226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65502456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.84083915E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65281665E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69103875E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.35095166E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68983632E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08664625E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15796147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80747938E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.34825903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03937170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00768518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.96374567E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.86948322E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.32322345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06965398E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.65931893E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78155358E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00954936E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.92893961E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50017766E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.51065624E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.32161344E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16309110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.39061751E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.75699676E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.30487518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.46946080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.58217530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.73244108E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.68097113E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.38487767E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "23": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11669596E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61849501E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65729493E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49371700E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89221781E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41095052E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39212147E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98346593E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68891755E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25573683E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.06008475E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00899163E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53242046E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.97972822E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23279407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27822916E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23998805E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79856949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72558276E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97660582E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08034422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96194784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26502365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70050638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.81553117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45277123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66845223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24353756E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50338278E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18141527E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65770471E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34546846E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57759385E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.60012792E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68995492E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.95447257E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12359597E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84872238E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78455704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36140542E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22845195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16168170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13679212E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21528320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66249454E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47453822E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23620880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83531417E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.57015093E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93613595E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79771449E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54106095E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31234295E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27323709E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.88478350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13155268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.90143156E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.81622561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40668223E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20114224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.90063212E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82663114E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30389930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.66550963E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14928311E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.39225876E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.40610814E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.68379008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.41795532E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03925896E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.16860471E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.66078348E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.07957677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.06646202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.30708872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.36296677E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.22307180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.14109356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "24": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07994817E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49640006E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23382536E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34324672E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32309928E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18220237E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29641482E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56973330E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50349329E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17028799E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64851040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79850012E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41909835E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34531913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86932007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07005354E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12260399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.14860096E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37962845E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82272135E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00304346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54067579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98874347E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59215248E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.38750984E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32271465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61206536E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.21347401E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10592201E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05790041E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49452817E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75368550E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16840314E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.91740609E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07526078E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13105675E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66489565E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08497637E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.88547044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90082025E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50247803E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30456256E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89443182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61393655E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86619598E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.47721508E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70622842E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00698997E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.25111502E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19844711E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89580992E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71860591E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.92934962E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45460331E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.58446074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44200972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13870540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56074114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78888840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39678264E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88077493E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30135093E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52277720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.59253051E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45665594E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.79495121E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.82366856E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.85509934E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.26436723E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32623476E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.09799939E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26626142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.38373970E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.64420847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.08681624E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.89935722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.75121341E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.69347549E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "25": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08358536E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57677885E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.68986271E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55628245E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.28607333E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61894043E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49838559E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52691847E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96689701E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39707288E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77570527E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36996946E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71370979E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89311140E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70195160E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52681578E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37593293E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56178296E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16459650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23208023E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22707927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80027209E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72982759E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96843454E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02621243E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19318560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88852392E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00897473E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93281092E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38872488E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24483861E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35569567E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.03906429E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18151999E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61282357E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31494436E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.38181475E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39176317E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12916857E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58082163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84442093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48096904E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.82073921E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09700552E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11055882E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06613714E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25178424E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20888831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00408457E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.49136286E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00024396E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90870505E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63056484E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65863152E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.36332347E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78424450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30109129E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.36815601E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20035402E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60576376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.91783634E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.79743802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74769583E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.52334828E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74706978E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.21625030E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.43488953E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.08039402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.12254163E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61661013E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.03844275E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.57031710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.77342073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.24161701E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.94059985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.46587816E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.18480562E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.02584227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "26": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09543802E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64280244E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.98451059E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68907137E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.90338733E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89899022E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62404418E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08812223E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21705496E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50997933E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30045705E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62491821E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84474910E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.60320753E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09809838E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74968103E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50207128E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28172557E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.57564901E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45679462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35453098E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51976857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12930088E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18198998E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13558431E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71934228E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03196351E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08335386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25424091E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52180323E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.60319821E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98674721E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.95186813E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37949829E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16651113E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50138179E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09867922E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69549321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26747546E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24619525E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17764989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65271160E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72344143E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56973310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35023188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18271242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78947832E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40230371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07806313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76220091E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09569409E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.08077971E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.33761805E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86315774E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.14257727E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12622652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46334951E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.17582003E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.61150356E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81396818E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.94663568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28694260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96835386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.42899876E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.01959344E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.65903592E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.98594251E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29317430E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.97594770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90287708E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.95558589E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86396713E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.14587536E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.85699386E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.08568691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.05604862E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.59389083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.30142031E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "27": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09197104E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69684127E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.36036599E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87096299E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07009700E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23082280E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75972466E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65895577E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46834587E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62607403E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.86530678E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91383136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99814390E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04314919E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54799890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99622799E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63865136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04090624E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99561822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68639019E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48223526E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22332540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50303747E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37642118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23336227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.19068652E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16146945E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13777978E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49565076E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62930508E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91308049E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66107891E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93196652E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59217515E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76166541E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70256793E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87650517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02620406E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41811754E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97011401E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.53982339E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83900888E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69925808E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07693623E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60490016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30521505E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34826532E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60003312E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15228523E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02977843E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18841512E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24611436E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.06112917E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07202425E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.93763309E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.47474506E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62861892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.99853088E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02973032E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02514731E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.98577656E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.77862774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18853796E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.32502144E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.28631722E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.11969828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.56555533E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.51666463E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.86729740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20164704E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.91306950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17067173E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.53599621E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.51557269E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29351188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.70533949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.00829707E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.61744073E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "28": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13133295E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84821113E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94684600E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08653159E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15203336E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.56858271E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90835410E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32295369E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76650765E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76244611E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51192378E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23135321E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15795338E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12575248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98957771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23793780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77116095E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.76266012E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38794371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89134685E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59504975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84531811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83975704E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55612549E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32636300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65424637E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33270509E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21209696E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80965648E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76061546E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.27220670E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.50909017E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13761782E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84726900E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.45698898E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93233270E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.74863788E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39200223E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58326146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.75906926E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93291889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04061853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07536737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.62521016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87959990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43682299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94517675E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81163223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23027553E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30432841E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28110071E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40921899E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.82426697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29144402E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77117128E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83956652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80150010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.85897895E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46691185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24563246E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10680795E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.28838308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41510581E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02363788E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54476131E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.60173847E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.17247749E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.75054942E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.80443011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.51508374E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.91667774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49191649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.94392143E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.23943362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.52870080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.46026478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.43477379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.00215821E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "29": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06872119E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66744889E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32084685E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85372185E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05716588E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.15523541E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72125855E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46651318E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37594158E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58274777E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65963613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81341193E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94844089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01917036E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43721911E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94505890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61280846E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89318870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.91341383E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68150236E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48861735E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.26190684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44827667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38614399E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25949069E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47062924E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35907386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16236240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61592643E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71414234E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28799346E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31646686E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.32844607E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10521881E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16751233E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16769364E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.64219102E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76669950E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75228814E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.56556241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33437593E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24649747E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18301059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.18409401E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15894716E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57034545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.54853508E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02107106E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30599794E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56750898E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36890801E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56220074E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.55532041E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50526957E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.59241857E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20116462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97340960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.71565538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.90109836E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46352577E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21320102E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.78744029E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63636175E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11244573E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.79618784E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.10474271E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.67420791E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.95845548E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.77600324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84162367E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.96850736E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.83056920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.34652432E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.03069294E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.79443678E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.33935881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.87565614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.15320412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "30": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07593155E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72212271E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63858453E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02261612E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14351473E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58015421E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92983368E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50176886E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89529499E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84643855E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.01429466E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51577818E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31532927E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21208457E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.45998850E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49483438E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91466131E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05913265E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88244907E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20021039E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77849857E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.90913672E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42648814E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89471392E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51472192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66765942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63572624E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33872831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41048704E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04414989E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29571525E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.39336047E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08946717E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43910723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.06956198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46129189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74194990E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22354877E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95720571E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.54050737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81922318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49489763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31302824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86363894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49744915E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73082185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26719830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28392657E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39952619E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88121713E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46876869E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.79667381E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01852954E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96503030E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13204871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.95718763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.33426173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15260581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84568111E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96207967E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47423241E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12946600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29856175E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40880452E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.80750333E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.63402335E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.46252175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.24797337E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01068672E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.31518803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06702579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.43432718E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.81375404E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.14128641E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.20146922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.78654579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.49186354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.38472241E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "31": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96089449E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44831720E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61552488E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65237057E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01712385E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20623898E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84428794E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41297024E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95307377E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90529584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.39666300E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72979768E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42518429E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26480781E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70024560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60443705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96990836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09120155E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09090649E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35830923E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89034268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07030753E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.00108724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22591019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71590896E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90966451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61458973E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87413182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04125769E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23405667E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43950700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59297069E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33812938E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09422688E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41733512E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74137088E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81743374E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.69292056E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50283993E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68571886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46628691E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38118144E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31883166E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24307375E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60221463E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44178031E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75991005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72010115E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66397680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59088832E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.82556004E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89847306E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37490210E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18749622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.44560184E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31308059E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74935081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71362840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34399334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.85110343E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49998836E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76630535E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78040415E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31414477E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09574474E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.31207616E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65498270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.20619950E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.26669130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.65812180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22480280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.13113230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39235020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.90072500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.04131130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.46164590E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.48465320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.49733170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.70975090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.18122790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.65550470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.42526350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "32": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00653301E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58795422E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41614651E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02809507E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18621897E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95354821E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18392771E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00281015E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74371108E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29278607E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12808505E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65111021E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88553310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50131525E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.94974389E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27963357E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33911242E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29436321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20898126E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95951913E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22307777E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25502237E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01764419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78397160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02511406E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06110439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48212851E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33515093E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13079414E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30643062E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05104990E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96655628E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88679730E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25057813E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71960290E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.67928160E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15315228E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.03753985E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.08978721E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95930546E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.81027836E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06808786E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67899686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43622490E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.64995950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99943429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05526181E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02937774E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46925847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01059196E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85077118E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80829013E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37177200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38690362E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.00377886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52301112E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.66744668E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.15302506E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56526170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.01195213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12025569E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09917493E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05570626E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.22133441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52826930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03879707E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64866480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.77821930E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01323390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.99879760E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41607460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.85872840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.68460600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.08270040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88572650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.68909550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.99907380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.82558490E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.20853750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.52867340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.82621930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.29850410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "33": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00115508E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58411384E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51118879E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13773139E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27769747E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.57671019E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54374901E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18326795E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58488516E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68076037E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31031973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52903974E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32155388E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72529899E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.13798749E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92727302E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69728368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49216984E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28794948E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53466741E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53952188E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43043651E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.98826495E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33298452E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33589497E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23815991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55919721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88711802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39917947E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56551668E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63039550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34152350E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44580797E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43814585E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03056622E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64231339E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49574806E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03974177E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67768089E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23097254E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11341935E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73962472E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02860403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62247284E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65461989E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53759510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34664734E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18965094E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.34791674E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45230350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09406101E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73862323E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84298270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60183683E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.60418243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74788637E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64659826E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.62104908E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80125294E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.25291461E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78630940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45993056E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25268972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.30122308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13727739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31060278E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.81977150E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.36340370E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09940560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.33980730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61450470E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.61650420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.99097520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.95325010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27299900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.87179300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.53213930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.12147240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.73316600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.01828780E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.18443750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.21664880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "34": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91593101E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62169775E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89176751E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37340512E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40999323E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26665742E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88825184E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35034653E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.37195391E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04676530E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48546827E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.40208285E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76660030E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95394995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03146733E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53049132E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00772447E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65609510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.18101699E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02849306E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82504619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59845844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98132089E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82168403E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60970398E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39454081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.50176260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35849381E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63814063E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71081154E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09295140E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75309494E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05936956E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.73316063E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36574648E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66184434E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85273973E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17994342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27857691E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50591044E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24587055E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.40482645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37325844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80608927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.64781233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07098484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63733412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35088575E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25167048E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.90391995E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30783230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69184458E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29359340E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92909664E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.50957204E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08581489E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.11604116E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32554602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15761535E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11367515E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.80495566E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00791395E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53558403E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46980965E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83603244E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61867736E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.08413320E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.97654950E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18538720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.68155290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.82069080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.40663550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.31218800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.04177410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.78907440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21981070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.08600590E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.26661920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.28396300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.72879080E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.64188720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.17985960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "35": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00415163E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66835159E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16122790E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54871889E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52639226E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.93656921E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21216590E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49349131E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01983430E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35721480E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63924554E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.17116242E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.15362236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15100296E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13360198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07162395E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29979165E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81489395E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00423254E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49563078E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08070264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73917366E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.75798563E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25758346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86830634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54951182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.47947017E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84705396E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88856063E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93378600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79753920E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15366937E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65842980E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99991800E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69431072E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65996047E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19973144E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31485999E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85166374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76669702E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37132015E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.03587068E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70147396E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98159804E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05994892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58469383E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92068966E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50996211E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16822317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36348190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52633693E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.67243501E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73860940E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07164147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.89926605E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23008156E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.73759806E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61836295E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30405742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18973726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.20836310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23421738E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67913744E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.70266782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59929469E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95251173E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46060710E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06130360E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27141690E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.02503310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03504280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.23060310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.64874480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.26946570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.41662860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89005820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.66223930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.41813420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.86135850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.57431470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.16364660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.18848000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "36": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.80722628E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63969789E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.30612463E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74159549E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67601811E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77127691E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60917773E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67521319E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.84716204E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73282723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81147914E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98468478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.55336554E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35434426E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23954892E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.63242454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60035699E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97765289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09263619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96935037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34963478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89573982E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06813258E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79511323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19234244E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74262663E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.68140330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46194139E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19473481E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03764968E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66263520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67939166E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44893307E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16639883E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12188221E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.94980123E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64614471E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48758974E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58162901E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09679495E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52857063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.81568824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09922546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18965038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17020768E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16536132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23295894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68109317E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13485216E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84708060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75633980E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.70292298E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26996990E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.33030445E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.60368013E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49060085E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08617705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.15265824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57287980E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33084094E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.96609746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64680991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90635777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.99546949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42127221E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30943434E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.82441930E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12743250E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35748270E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.36972540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25785540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.08953850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00103330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.61765760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.18637850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.31587920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.26014270E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.57614090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.46573240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.51236770E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.61505000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.02428860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "37": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.73958229E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61676114E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16368028E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63865865E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60167190E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35046542E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41375779E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59124566E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49457109E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58708009E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75279641E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.75675702E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46648281E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32036001E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22563274E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57593134E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58035601E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97317822E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09373014E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97614010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35199848E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89225083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06247497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78753508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22568727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79245141E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25002079E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88806380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59275782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38239249E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84073663E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68561384E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08730430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11404763E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42028518E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18459002E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23576209E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33474942E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55679260E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12623300E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10030292E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66370677E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.32930016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43848992E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69471822E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66470920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54749243E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43255355E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30762619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02822342E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79181379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04445875E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05989893E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42063058E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75166935E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38344281E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40500561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82981894E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51479598E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.85788837E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35514806E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61377959E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.37076534E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77322450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20777746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72982528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86337217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48357570E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.78927332E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09748029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15861511E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16453489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.90598179E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08922669E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78357852E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37758178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.84077411E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19649010E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.46452040E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.83461720E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49173420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.99500410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37518010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13732908E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.19801056E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.96040680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.69831621E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86299060E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.94756110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.74176540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.10246310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.13594130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.44558010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.13498600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "38": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55372301E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56470515E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.95789436E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53612758E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54300054E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03610613E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25120967E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50916912E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.09560096E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39843202E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66285615E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31383055E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24351505E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20652991E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16548935E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.24148632E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38682170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85963785E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02837368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59664725E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12340456E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74818624E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65172924E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27821659E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92273323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59024547E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67209709E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59933247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40663492E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.11697936E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07010959E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63090233E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35951434E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80493727E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86588338E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.30259222E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56698157E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16406523E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30806628E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71628020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89775088E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.30621836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.87584493E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90102122E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.68009307E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06438625E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70484835E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45106614E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79708604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21463384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28964235E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21706460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.37305209E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34638438E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74857191E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99516503E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55755002E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29961397E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15323828E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43741042E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93562364E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.23516939E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09066953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34402971E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.37537132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18771441E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65372261E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.70330779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59365637E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42997343E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33601235E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.46617783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86748937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53901049E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.05239054E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04144636E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26768770E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55518830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.20102830E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.73579170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.94295830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.76892160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31750491E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.23414361E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38624800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27202100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.15870771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.06015220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.91478390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.77028640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.07981880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.13323090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.71360960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.96748396E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.25080540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "39": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.48880343E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54355230E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.82661415E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43478415E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46818402E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.59179703E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03201372E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41184889E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69031475E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23811123E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60059066E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07208760E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14623890E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16274453E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14480171E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15374620E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35645836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85207151E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02909322E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64579321E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17401891E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79035564E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.97054657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53616050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10982533E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71557009E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.28897869E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98860963E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63553881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09898413E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65831728E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88494081E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48330882E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.62800202E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71076500E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62632048E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85160803E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90181130E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52936102E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47128917E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18568575E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.50825927E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.41481861E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15689898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09538322E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72026532E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05258438E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63926791E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.88111617E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86595766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70890231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51020794E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.18872852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42116112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35291685E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11203579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54703962E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73898293E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34107904E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86659355E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.78413353E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81826222E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.65850063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84704547E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34303151E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.75192723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.53830368E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91209284E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04735920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74902586E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14475028E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68071539E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.50346226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12630425E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94358547E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83555742E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81662103E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38761426E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33969580E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56117400E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.02853520E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.99052660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09352310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.18366900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45867720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.13780050E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.39158832E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07281768E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.28418158E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.76139400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.07021750E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.09548960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.47090560E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29799520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.25386864E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.25835205E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.19450700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.37184540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.36519333E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.88397800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "40": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.39294069E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51328129E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71427083E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37774108E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42040122E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21592790E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80287718E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29756974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.16722660E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99839210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48753144E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52842236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88579174E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04213466E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09057128E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90480324E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23294126E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78452022E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89786678E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47883113E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08232732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73172665E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.44195762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30035571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98293120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62495294E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94041483E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90905393E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67472714E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23482899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30413099E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24525160E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68005294E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99039164E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.37184502E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.68396861E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08208731E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.50751472E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71216448E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09315194E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42126199E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04859583E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.85167089E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36397299E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19838245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25122150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33453295E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79192293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69980454E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29947232E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93182201E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60798608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62340301E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60807028E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43474679E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16162779E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73036877E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83410529E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39284814E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83696306E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.15814742E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91725742E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.02671948E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00966036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42232464E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.16275138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.76022175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03561382E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11718870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15155501E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38144371E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82221409E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.36531788E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66008152E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25525852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05205041E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.64519647E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82406753E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41657390E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65720990E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.40420850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.25443950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19650150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.61522460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63285940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02399187E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.36807069E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25481121E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.18270400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.13517520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.28307150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.20005790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.46379060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.44824198E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.01300241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.71000800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.49766610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.46936917E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.15645630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "41": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.17834910E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45520647E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50711756E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30491081E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41404384E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38703773E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95737230E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38064612E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53275238E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15010847E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55181187E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80782634E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.00604611E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09113132E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10821116E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95534910E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24222045E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78410289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88010847E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47888627E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08072927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72837742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41934334E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29584485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97987320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61633465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.78927875E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73724928E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48056494E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20933198E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05408902E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17265366E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70744561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04305224E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.20053149E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10342579E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37776084E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.28086721E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94339115E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87052910E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71242149E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16824435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.38139705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61266891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32081517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87545659E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66216071E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96732657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06470485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81394180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21745455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76787396E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.49434243E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07923154E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68393083E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27579823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24111220E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05697444E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48693879E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98257752E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.51052159E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75735289E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46980817E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78015101E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31667518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63098684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48068136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88072472E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02736565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63503439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07910262E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64555685E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.45857954E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20175745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01929231E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34711011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10301204E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58845494E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49641890E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75164870E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.77406220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52801750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30341760E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.06485070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52701315E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.37430649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91072117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.36907100E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.20324450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.47784120E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.95929630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60147040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.51410503E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.88657174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.62190600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.62839430E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.24395997E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.08132010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "42": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.97647920E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39995988E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29083825E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19804809E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34508362E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95878766E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74716553E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29413107E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17893660E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99485816E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48125723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48948161E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86111974E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02169032E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07331397E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77850191E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15299718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73712520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.58532388E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36880264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03567495E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70966176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24998043E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23965788E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96583949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64023573E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86859328E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73375966E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38273606E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21856526E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09518121E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16166758E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65394412E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95752730E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07327488E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24962998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70175549E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.13240185E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19820339E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72605495E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03199789E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29918096E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.95950304E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88341611E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45392630E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55470125E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01957346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15954630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17077997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41327324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57065628E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98079165E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07103262E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.74287895E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02396414E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40226566E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78151377E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27999640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57539602E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13740837E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.51052159E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75735289E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46980817E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78015101E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31667518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63098684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48068136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88072472E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02736565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63503439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07910262E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64555685E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.45857954E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20175745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01929231E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34711011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10301204E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49984112E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.57924980E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84616550E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.15059510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.81005950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41375970E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.52887110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81106029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.52515500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33727868E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.79092900E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.27349000E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.67905540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.74444150E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.76797800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17046736E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.68264253E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.22754800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.76368750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.19422842E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.73140930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "43": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96248061E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39064156E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22079709E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15380620E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32025444E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81514358E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66002779E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24868500E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99038202E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92835142E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45775577E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39141597E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81646745E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00350331E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06742079E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76650965E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15395310E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73845692E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55449571E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36024973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03475748E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71373252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.34476936E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33563567E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03532684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66325251E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02083266E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79840149E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29515729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24313575E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26077215E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22834841E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64995440E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97004111E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02402613E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41065723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06188313E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08554268E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48466517E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.68827920E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39052808E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44545138E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60200974E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18272005E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60026948E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29731709E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40807361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36752533E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29989204E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29755039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25180366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50580931E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37533845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38313311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82848841E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69682265E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.11250696E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80728081E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76572426E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.49135107E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.98450029E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38268635E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.67959251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.70580828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74916219E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.81350571E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.63531997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51635024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38673054E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68862540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.27066941E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.33826012E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24018901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.39237800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.19853010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53843621E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.95166555E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72672868E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.66428480E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.96246820E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.60008090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.10084710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52764100E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.00782360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91277213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.81936146E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.36464188E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.88214000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.34292990E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.88685540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.05559940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.97015390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.35722453E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.35279769E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.45093240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.90361390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.45784268E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.15261420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "44": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67995959E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29382300E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75456770E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89899329E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17093236E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95936475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18461459E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94937078E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.68030284E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26815862E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12867413E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75447910E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00497951E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60545129E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76429266E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89193671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79562947E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64120558E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00361133E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40557464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07542606E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54969772E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59675967E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89415316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01321649E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54064429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95698644E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07759711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75886478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94873639E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14046375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17039851E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37085595E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.63519219E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.83428848E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55294950E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38516943E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.94803460E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74423602E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.55725794E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71274861E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57632983E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.17564463E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45015622E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73137029E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96461003E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.75754209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55409041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39087499E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.71842841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44632521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63303987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48086140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.04670229E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.17805734E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86744880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.75225638E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02796064E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83984361E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.62157951E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.70641691E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31173300E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.42640720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59780655E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69695262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.53411826E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47998692E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42571020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33144253E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.36227453E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.07328349E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21509541E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16705037E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.95593892E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93720576E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39001633E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.18087625E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23034038E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75415220E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07471290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.02996500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.40185740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64563700E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.50591270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.39042326E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.90437153E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23510964E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07837000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.41650890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.10213140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.13990580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.61790024E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.41752884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.80584300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.04855950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.18648429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.95494800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "45": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.65528664E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29015135E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75307298E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90148746E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17384456E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98313075E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20139402E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00564315E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73961199E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29665635E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14204953E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82148220E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03773655E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62031398E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83118319E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92226094E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81012736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65038138E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01200509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41489690E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11024043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59155868E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60465660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.95972016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08590376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59962537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96246820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08541693E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81788139E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95298949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17330737E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28113903E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41570950E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.76407518E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07887173E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72049534E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76638327E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96687313E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05158979E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05856934E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09162479E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72872147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.83639928E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75485884E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87933624E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.71315494E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.14855091E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76304220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49693488E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22783493E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64019333E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65254785E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46018892E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.88359197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10990739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81427808E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46996856E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93033944E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81657233E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56169078E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.32362702E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46217102E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.93421762E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80144277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78708063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.95182215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.68173642E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52467594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38031774E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.62316562E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20831250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27692242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19134854E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.00744084E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90585746E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34223627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.80303882E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82515958E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84666250E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18780180E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.46938290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.71174420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76721710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.01903700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72353261E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02594380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.73889855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24630000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.49233430E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.32405170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.22686630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.85263469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.38120578E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.12706900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.19816180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.36747079E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.55823600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "46": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51812592E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25312129E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.62674848E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85501661E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15534880E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90874551E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17267560E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94069531E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69022637E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27618592E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13377650E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78544068E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02032095E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61177183E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79174094E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90499196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80040394E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63940376E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96487026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30808423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06321205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56797833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57773802E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91160850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08221670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61998698E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97763589E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08906546E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77993974E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78806570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19297678E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37702384E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46424189E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.90032758E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15301095E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85634615E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07999144E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08063449E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30334336E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14221656E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39871976E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85232935E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37377002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00327119E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99987929E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03195143E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46198273E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92773111E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59382173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.86034458E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.12111954E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04772554E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70254077E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.19914931E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74215051E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05181526E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.47558038E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31372377E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95020699E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.80725077E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.24551095E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44336371E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87409461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77945519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.77897492E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.92667875E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67798703E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52679553E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38266702E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.63647435E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21421514E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27993188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19299190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01255077E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90324739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33772176E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77825219E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06695162E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.94258020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.30034850E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.90769460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.03546690E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89460220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.56047090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.86610434E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06563510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.72280095E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24093400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.57096810E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.55526930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.31790160E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.04666180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.13684776E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.37894930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.35394060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.51283301E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.04277640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "47": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48891523E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24801230E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.62438887E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86055954E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15965255E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92939899E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18198792E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.98411680E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70679206E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27890856E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13124763E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75332969E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99877414E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60172857E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.75654182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89165391E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78852819E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62443801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86086937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28069484E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07799824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58644148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60577541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.87584049E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05999232E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62654553E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99713269E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09599752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77593340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64375865E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19962261E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43939092E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50202023E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.00626826E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26556837E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06382482E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56349994E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21179486E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70275223E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27626808E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89244671E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05072673E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.23331049E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39936297E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19206288E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12911766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.96947967E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20001156E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73503427E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.58240254E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47117471E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20131958E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79090024E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74489090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.04624400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14257417E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.83290668E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45900405E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00794840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90305836E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15052764E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00301320E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08201828E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.58361687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14992839E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07795136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.64961893E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05863444E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68196766E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.33928624E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.20513639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86083816E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52523078E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.87359839E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92251598E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87141456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.33940475E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81532824E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.04191780E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.42006690E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.37902350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.36413070E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.02368430E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.10660210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.33094125E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27994082E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.71950493E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.57316830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.65067090E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.79103920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.41051960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.35526355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.62426587E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.87475520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.51319550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.73565663E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.78552200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "48": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20023173E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17441096E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.38458457E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77325105E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12639702E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80055304E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12972215E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.75883209E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60704465E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23605243E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11376057E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.67999973E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96231491E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58052044E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63725283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83889756E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77785149E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63296054E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.85753247E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18810565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97675034E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52557376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55860220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.72812221E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99805963E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60179992E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01320778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10757231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83219975E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32796825E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18064947E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73965776E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77203739E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.87030197E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38506049E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29325518E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.10539203E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35914491E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14974331E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42545570E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43782949E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26810004E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01681761E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82736834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39834541E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23259002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50417353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48314679E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88440827E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03743216E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88581814E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38132404E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85942001E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96850609E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13279905E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16102745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.85419757E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46412681E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01364746E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.91697447E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38458253E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57970380E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28115651E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.40216858E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52604275E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26564966E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63821936E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.60303345E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99217794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11269890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25547521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48041742E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88236338E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.88473488E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.02544664E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44708899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10682149E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.73655661E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.14467730E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.52691900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.81859090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.70364850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15731280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.67190470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.63131702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40791020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.29555127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76518400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.73480390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.03439200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.50617950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.63745469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.95665443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.31888500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.67751210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.95264687E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.50882300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "49": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.15588245E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16045574E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33477450E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75473708E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11752317E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75031204E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10031399E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.58683237E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50823159E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18110960E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08447170E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53038708E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88744113E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54276410E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45133951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76109691E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75869671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63645634E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.98331809E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17344602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89196819E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49764133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54309278E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01226513E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35325824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83725065E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20812109E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23484177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.64108187E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82023340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46951339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.27042078E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51420024E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24202530E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14285261E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10703479E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39835192E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12827356E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32812540E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.24543567E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14156932E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28026580E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56784261E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56979056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24621086E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29312238E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28629638E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76154495E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62510513E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.33583798E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96794314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63502866E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.11368009E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07673330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75164607E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44337869E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.33302406E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38865368E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48397466E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35997650E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69840652E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.04303040E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62905241E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17442205E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48416435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22726937E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89889986E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44741769E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56912295E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09825860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26442772E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26477037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12674685E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98695627E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17753145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16612944E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22156071E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41625730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84820517E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.26727498E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39659730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25109560E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.57430180E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00776640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.05303850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29485140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.25481990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.56172340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83190220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.22085400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00472350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70975610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.58982580E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.82463030E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.28501690E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60483650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.03282350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.20819160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.42676730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.39331310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.84688440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.34036840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "50": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96795500E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11119522E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16696365E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69225712E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09392608E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66481899E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07119015E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49506494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48270474E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17399110E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08086310E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49968365E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86206988E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52365581E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30254969E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.63322519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65118336E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57309286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04467316E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13295895E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47433517E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70077218E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58933254E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.77317714E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01995245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71106157E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27068593E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34243415E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51652042E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50622525E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85093891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.21194301E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43489075E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76512510E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.35240669E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.93626260E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66826171E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.00364173E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62508245E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36979134E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58154675E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45827428E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32551995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.90565733E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40227219E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.05148797E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66566945E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95574797E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06434677E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88793257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27612146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80870206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00907428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63112444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05778465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60852839E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22049370E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79623210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74936279E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77264302E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37443498E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23809670E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81464427E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61331704E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63137076E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82315856E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17168340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58413900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.29945687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.50715619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50183081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40479225E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96553731E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.49050650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47535735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34007678E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.21422907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95454416E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15733668E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83341652E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18999240E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.36144150E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.71754030E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06203640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.41283740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.43660300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.85630240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.25231200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12818070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.55201800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.99547860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51527680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.55347420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.91320770E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.54311940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.70654790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.37232760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.38464500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.57815540E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.49230010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.02139470E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.63459270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "51": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96183736E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11770846E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24859422E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75776115E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14329604E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99844720E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27945882E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07192363E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17368532E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55332333E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28692474E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.62033548E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47390862E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85796473E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01284262E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63772738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21324445E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88100672E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14093315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08796491E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44689041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77199249E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72432481E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08915047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01556281E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51396529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78364080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60957886E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89378396E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16431948E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23007258E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11345555E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35543852E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23121840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46221985E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01575242E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73713577E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29076973E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74815689E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.81812873E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74972535E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52932859E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.63693278E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05255930E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47582981E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.42560194E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86085028E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05997565E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12083771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.19960605E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45050581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90776728E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06780077E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.98157113E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27450729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73958628E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.00011195E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19048142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98678088E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07208894E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01806964E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59725590E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02828772E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.13345512E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80825272E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.54321537E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49975947E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74617448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.14523329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.96621556E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75900582E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55087396E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.80992657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.98159467E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75855835E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50373012E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.18803797E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61537144E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61884581E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08787865E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09333000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47589940E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.86844350E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11878680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.78320450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58262730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04766410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.03496760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.44815710E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.95627000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.50108840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76260620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.13555750E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.00363260E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.80874660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.81133130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.71690130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.56501180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.82470610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.73454560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.20107830E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.93676480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "52": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64921967E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03542260E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98011284E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66692233E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11057307E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87189939E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23301043E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05935164E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17247054E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57889872E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30739978E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74230971E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54575394E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90220278E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03868905E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76133414E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24520201E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86056671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16255975E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75677524E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02273345E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06791292E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82195171E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10037387E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.72631348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36188584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98886509E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81337912E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01746450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.00002959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67445531E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33179820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.37403776E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75395450E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36474997E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00682219E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73666052E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.33201925E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76752445E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89387210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77871882E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53797598E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66109925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05449776E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47228205E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40299262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85482156E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06264274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12714149E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26637153E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50578629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94713640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09734793E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.18387767E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41397530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83771080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.67533600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63236006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22726041E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03408124E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64368215E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92004040E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26643760E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71896131E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00761489E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.34712110E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86075576E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92186315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00516991E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.45435516E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03152607E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70557763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.70334581E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.50009364E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05625000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67393921E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.17817885E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.31938197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14870464E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31570142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.04211430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.59412550E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.02342170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17705330E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.16408510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.73288550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11156640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.94340740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79719200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14495060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.15526450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09779310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.70910550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.09591210E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.08203340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.91922580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.06793730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.74990320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.23230650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.05033950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.38595330E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.24762180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "53": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75365422E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06052271E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.04966800E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68476767E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11295770E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85414028E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20826551E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03787647E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02023587E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49017141E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26462518E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56464598E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47778727E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87838395E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03424435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81260331E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34671847E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00232310E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33637605E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86420817E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54897239E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37188981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02948805E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25764128E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92589996E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99285613E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04826068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83146114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05865773E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59420261E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96538666E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50008039E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26099076E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20971350E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44372215E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03169623E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82766903E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65131734E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87398191E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02689658E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92117613E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59550559E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.90789337E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16803140E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52745737E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.68260494E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00298566E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14421578E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17291115E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52493038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65241026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03134259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14805683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48843926E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.60113357E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95898028E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04660173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15039002E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50180625E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17406775E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.31584035E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24757710E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45319443E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15612266E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15091401E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.91788278E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11843081E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04852930E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07114742E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.81282220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23298023E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82144132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03853878E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.90439528E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29322752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81477002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00379286E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.05033104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.72516891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55800800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.03152200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.71721330E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.17102740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.23355350E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.55572560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.88747240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17737170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.02111280E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.18008440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30446710E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.88274980E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50201210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.48745510E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.19105070E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.36292480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.03022010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.42632440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.93971140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.73129560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.41630560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.57603810E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.56761180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "54": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59319702E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01918471E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.91309608E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63380369E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09275933E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77350472E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17435726E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02200669E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94008883E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44884159E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24332346E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.45528007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42234753E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85153999E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02289931E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77979942E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34913890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01130530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32253635E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80314465E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55872930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39231809E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03080521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26921523E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.95474085E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99886482E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07079790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88151538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10615171E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82742939E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11565390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59906614E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.84762919E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74089730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39431194E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01937765E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77691569E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46774034E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81825550E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00908058E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85988085E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57325284E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81865918E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12812676E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50844345E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.58874581E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95642406E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12254704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16479160E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50731143E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66003409E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04705152E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16487329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61504258E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68472204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02720171E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09803359E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56044183E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72967227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29675711E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.93397399E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63098780E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72820379E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82428024E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37700822E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.82865401E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.52809791E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24862765E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17497255E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.37438987E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54706631E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99927697E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14032726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.48690963E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.62270352E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99926928E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10444484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.77357405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31726720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80473748E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.98668670E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84419500E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.33346920E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29458270E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.95809300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.04638440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24509010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.31702510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.59951250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47483460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.65710450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.99535370E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78074850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.28785300E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.65148020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.14433230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.79265480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.13466970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.28683850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.70002530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.77137660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.89681950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "55": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56993653E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01329763E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89490825E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62818427E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09176973E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78066202E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18788502E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03644245E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06504519E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54283605E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30750958E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.87051031E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68664105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01751573E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12364489E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.36761841E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68554501E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21358153E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47666159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.79743498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11112535E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69439838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20416984E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36050968E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47558947E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35510643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44998085E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14952350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26264554E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35447353E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59597528E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01632698E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14255913E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79936092E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02464378E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72632246E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55162290E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96669905E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59845667E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72484823E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00206142E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88343271E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90482495E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.68756552E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52821479E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02608753E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45271353E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05102520E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.93565201E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01843599E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62227958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40740221E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72421037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28742650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37858349E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34356420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.61555768E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26052399E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34967096E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28568380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.71272513E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44562252E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76153140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81000899E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55718128E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35152640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33829068E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29297222E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17216124E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99798311E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.49098284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60745579E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07862419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.97551909E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47545482E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29685204E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.05580384E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94211916E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23268877E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28064163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.34054186E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.14647563E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30931791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26088236E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.17315850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62108299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64734010E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47572050E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.27418521E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.97689520E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.49936610E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35699390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.51514060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.94822330E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09443300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.07128050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.66355340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.72859538E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.62726953E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.37353060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.63788426E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77015553E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.38699790E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.94595090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.26067140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.17128510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.33913650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.26417444E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.37204190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.95831690E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.23798120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "56": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37388272E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94803054E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56010377E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43108156E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70052389E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05477165E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76574757E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96159014E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70714970E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77608678E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72900250E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39649085E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27436474E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21306588E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68408586E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79284833E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20232947E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30598997E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.55478998E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02855058E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77113332E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14399177E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32899589E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11487611E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92386061E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86621500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66009593E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.82460306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31575024E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97097994E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62744353E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28253466E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96451982E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20441521E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21986203E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68247123E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76392045E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28775538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18716361E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.49360489E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12063562E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50723715E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85188035E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15717007E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99845658E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28785472E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10212147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54593889E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89299348E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55226694E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.52515843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76061379E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69877687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55613760E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.00000632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07854833E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80450113E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53992176E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.24328218E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32584646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29937224E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22668999E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.69637262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48021633E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83032925E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.52782065E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40468260E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41452622E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.45103332E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92184426E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20459007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.54334768E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75208829E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43921158E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.81527999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.36160528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46941403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41722578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.14661766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.63030042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59880677E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43361915E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.25638725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16190815E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.49088560E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.91892247E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15146148E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.11282620E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.66713110E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42031880E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.16273080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.25893050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28760940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.57563270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86323070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.82214488E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.25376961E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65965840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00671117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.16082287E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.48871030E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.25159430E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.38183930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.56025770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.55101100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.24537575E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.82686890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17713152E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.93919832E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.17243570E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.58858340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "72": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47809345E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72387455E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90491011E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25008893E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36173721E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10749588E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88326839E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91518258E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33765821E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15894817E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09739637E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69128016E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01085242E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62508910E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.95394994E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03983348E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90355038E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76319954E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12705251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18883517E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39231468E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72421836E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65056631E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.79694344E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69264784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27580439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78898180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01760706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.67979390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11903444E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59324148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07156157E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10779184E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08357474E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.38546931E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.19230290E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40403882E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21351654E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37737586E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81947646E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78593200E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96407595E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85210241E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22687891E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54127387E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62120707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29276419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61143479E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48338321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88145714E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03397689E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.74666123E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26124974E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87750408E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07620094E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04306766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36610190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81112325E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.67234667E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13140394E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69983288E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28013256E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24296454E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02888266E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46073835E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.15738647E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79329752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16328145E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92472058E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58204057E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.14975718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49239894E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79913097E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.64155853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.29088237E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.95881231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66084828E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.19428978E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00225446E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65284811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33960174E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.29085454E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81969971E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20542597E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.83547295E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64081672E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.19002590E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.86053493E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37090970E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43925960E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.90049941E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.49717598E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83671102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.71187019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.01334924E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.45394274E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08768445E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.07579089E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49703590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.49860520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.50859140E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.22255280E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.72242480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.03269340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.22415720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.51513870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.44370940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.28700547E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.60992645E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.21975600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.39483890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.43052400E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.81134830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.28482405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.97935540E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "9.35318250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "73": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46385144E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71916595E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88214532E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23869723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31099859E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08823719E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87647550E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.88730822E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32192700E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14669285E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08634210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59608167E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93735610E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57266245E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58892974E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78700858E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75744481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69644659E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12619616E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23711811E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23258981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65784338E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62117991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.74288796E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69276856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29667556E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91103368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12477953E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.36222297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62301733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66672325E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67249502E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43398765E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24035067E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.66670283E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24198487E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42853500E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31271182E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41630092E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97328186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84880539E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23019947E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96640239E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27643852E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76082521E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72231461E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34165997E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.85970856E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61453081E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95273960E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07353356E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97242734E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39134522E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95292677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12013657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29264213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51302307E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90272035E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02035646E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42902096E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84977375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34193668E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50965584E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16364891E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52903935E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.08416698E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.04097355E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22218895E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11633386E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65598548E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.47180486E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64595958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87729409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00594304E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52136661E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08857660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73431087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.60733626E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.23559956E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78559585E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41349213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.79755650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12990645E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37174441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.62470701E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04816964E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.44752600E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08692115E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.70925027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.58358121E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.59840923E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.86126124E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03372624E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08120567E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.62620014E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.78973557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26379058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.91405599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84086491E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.89610290E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.69842780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.26609170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.89456170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.20235480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.91606910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.80884600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.65976290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.80763241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.20686438E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.04856900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.72699640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.54760730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.28350230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.40580214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.42152260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.01408740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "74": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41372745E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70676239E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84546864E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22740488E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.27359438E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07264037E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86767317E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.82681628E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28122025E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12317815E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07506464E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55006857E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92012927E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56557310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.54939856E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75289223E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68978522E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58942199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02971268E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22766505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49945109E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84325700E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73749870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03301075E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09437248E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55925540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99918320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13334515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32945379E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48000102E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87397350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.54574252E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84357289E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42804035E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.18240962E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.36094395E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48550092E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53588143E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50330664E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.31806678E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98791315E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80229694E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20804960E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38191825E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23715198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94450834E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44864168E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.39150629E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88724659E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09666977E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15188986E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.40547159E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63032231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08852715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19652423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.71375076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75569321E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04595084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10245970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.86443306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06579908E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44142573E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.95323016E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35333840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60492793E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13091686E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39800429E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30823775E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.39464363E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76270432E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.93400108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86547755E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98863476E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06528812E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84792814E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.27170244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83830156E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01996550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.57171057E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97842224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52348741E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.44648139E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48699293E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55118230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.43635589E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39656041E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.71341160E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17940585E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.01800933E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71509473E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.23259468E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19197084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21283215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18143991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.18853456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.10192825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43032657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.71994826E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17567918E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.27556430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.88285070E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.31040880E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.06959380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.37296360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.61303640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.10576520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.86903850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.12478072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.78962199E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.27680310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.05463460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.66630280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.76386000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.49610921E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.86251730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.09425370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "75": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.36028633E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69211166E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79327757E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20737476E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.20435100E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05824118E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87351426E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93106918E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.37354538E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18809597E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11506835E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77793793E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04619328E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63713392E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98616139E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04532193E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91618915E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76953239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13500017E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36620560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53947054E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85766052E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75707275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05101493E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29680708E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72339577E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12304797E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22985635E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02834389E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95258204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17361976E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08733440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42192519E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67534923E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.85196948E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41608341E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51650488E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66703689E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55673075E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53393319E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07656365E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.17799481E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37127418E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45426248E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56633903E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09936984E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52415919E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77307182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.08612842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20290354E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21001493E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.72941507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81465845E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19739060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26146579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.08485729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.96333850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14367013E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15270703E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09972800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16651397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48380126E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10460759E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41791145E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63550016E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11059271E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.67987485E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37097742E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59177346E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83826808E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.26235074E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02044098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06608074E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10587964E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.06958938E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39771620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91156011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06284268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.82476449E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12815585E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60956285E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.95620267E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77174881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69925644E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.13823879E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.68774283E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.99076640E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26645950E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.30750569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83817495E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.82477403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.50048506E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38007411E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27521957E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.71793682E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.39925180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59124925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.51106107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50791806E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.65995110E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.06461640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.35560950E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.24784870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.54501420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.31698180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.40667270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.07666900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.26591377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.37831711E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.51429430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.38378080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.78667990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.25253690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.57890715E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.31298180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.17581590E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "76": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.27221999E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66918880E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72028139E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18342021E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.12792117E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03641184E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87019000E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94551068E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38721066E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19182328E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11269124E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73701674E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01018953E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61221528E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84025233E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.97706971E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93011588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80415734E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15357738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.43265447E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81778922E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03255045E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86035003E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09877735E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56572971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89953178E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44984519E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30878036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.40867357E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17178130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15456465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08932993E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46445718E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70881936E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00172798E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47024335E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55228728E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82071374E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61938280E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78839793E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18115205E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.61533413E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55822037E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53629973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93716264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27286781E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60842588E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19755048E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30712374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32132520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27531059E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09979172E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02761184E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32410972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33734912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53268971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.24122122E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33040187E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26404455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.73081100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50163385E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62500690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.71098627E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65801683E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72360098E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23286662E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.10242833E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46926789E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.90513356E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95790443E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77879164E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.26431108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18872062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17055316E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.42192924E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59379388E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02250844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12610713E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.18544867E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.33714042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73046948E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.63411397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12974288E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87542667E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.92561923E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.98268477E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.27821340E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35104342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.58767055E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95701547E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.39517199E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.79708637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54080586E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36539352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.22901991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.68872492E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.74958291E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.29919873E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84174741E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10635820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.24738930E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.40169370E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.42940670E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.71884280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.00292440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.71210050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.28520820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.40679822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.98556465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.76683870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.71698060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.90885060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.74984130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.06674087E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.78043260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.25880120E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "77": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26324567E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66683769E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70970969E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17734405E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09232390E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01717475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86246452E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94300936E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42430397E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24226154E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16155634E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13922679E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30775905E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81655419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01771939E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82774569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42589179E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08435403E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28971512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91277281E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61308928E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89620756E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84193836E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23195095E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26388789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25954637E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31315045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38631942E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.06184291E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66607005E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24109504E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16296220E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87342643E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90020584E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05432433E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60878134E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61538923E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06771092E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71643431E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.17777869E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34059553E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.28003447E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84183296E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66143717E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50847642E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54133412E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73826058E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.84520694E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64035134E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49746302E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37100676E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.63264364E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32857641E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50170900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44179023E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.12489271E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59044682E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53894005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38832173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43806471E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88242182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77307459E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31780465E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88964320E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80726598E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34745273E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46118937E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55205596E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.16732275E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05743489E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.20671223E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46581658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29002690E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22411109E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.71542035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75891436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11692410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18042585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.50058337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.52305319E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83944376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.24892165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45735151E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03904087E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.67050347E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25500004E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.57657980E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43371089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.86065441E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07263528E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.94967757E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.08543122E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.69732644E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45335419E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.72925038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.97383438E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90676971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.09003268E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.17906800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24925000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.43127670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.44867140E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.61431580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.89474850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.07509810E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.02248550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.49565040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.54836379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.61895199E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.03909580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.00553520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.03289540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.25602140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.17632329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.26883150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.34324500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "78": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23780991E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66101170E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69657852E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17560236E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09700186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02379219E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86860485E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98367864E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44127471E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24417803E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15809653E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.10199490E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28110684E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79879434E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00553543E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73943870E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35558927E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03441597E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26916346E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.93599935E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78037111E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97800051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82718019E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12496267E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95014290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.29354941E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56031568E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50060613E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.52083862E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65934749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28350455E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14291920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73908361E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86374375E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05623320E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68475118E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65556990E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23595720E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78396405E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44821160E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45142111E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74756010E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04321956E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74914029E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89919404E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72285116E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82610784E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.28401321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86587287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61662685E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43583570E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99058471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.52340492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61019088E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50335031E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46913428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78451346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64002033E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43799995E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66201942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.97343035E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81310349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46979423E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95778151E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83812888E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.35824046E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.87829029E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64862299E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.47337733E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17369284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.70621535E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.70040554E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40735433E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28568499E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.05027244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94584677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22332444E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24157851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.85338484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.72968164E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95978613E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.91592559E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.80676651E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21093312E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.44133195E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.52500811E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.88719600E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51528666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.12934398E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18629243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04943932E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.36856800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.85118211E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53994937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.22346785E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.25721035E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.06404203E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.88825356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52154887E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39524670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.61769730E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.49655200E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.80265510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.07293870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.14830210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.33814090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.70940250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69216767E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.29269249E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.34007410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.03994440E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.15890260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.77135820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.28755725E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.78806100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.42918360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "79": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20910315E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65310196E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.66662267E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16256884E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04288317E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.00471076E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86130196E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94010272E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.41168672E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22578678E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14666921E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02327271E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22502302E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76235066E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86388945E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69800040E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47439123E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18594432E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37253267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48620636E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.20683077E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29620450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05642268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23541844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56412170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.57399250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73964897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54586970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59898841E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58261513E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43087444E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21525733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08933079E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01852957E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10237339E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75534848E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69124856E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37780684E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83968730E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.67012592E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54151575E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01221988E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20347350E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81966463E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.21744870E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.87039155E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89715089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.64237207E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.05420647E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71861289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49244771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31404628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71314825E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72291155E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56759018E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82986883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99104006E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75797960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50215220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.00999703E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16158973E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88571055E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.75551178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06338978E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87552747E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38912624E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.30851950E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74834650E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.79121925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29550786E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02343767E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.95064363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53367053E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35256912E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.41664376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15100111E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34029736E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30901241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.24363075E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95914719E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09371900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06558558E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.19289443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39938364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02711578E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80267124E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.21016780E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59845287E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.40236705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.30150329E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10448257E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.65359194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00551195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62652422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.71693770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.54074873E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.22208092E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.69655156E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.87002646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54458060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.80725800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.54533760E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.99440460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.25362840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.22261820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.65934380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.92701880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.83876516E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.02107371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.68090110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.07494640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.28692540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.29603130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.40044975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.34742620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.51665360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "80": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12672810E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63104578E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58888816E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13220619E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91576913E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94709159E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83403429E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.81695052E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36078259E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20557049E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13787944E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97929745E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20390326E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75583349E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.87771001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72914904E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45983627E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17661124E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38150167E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.60976047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17642828E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27058931E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05006734E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28231540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.94453938E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84298883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82567595E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64823182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.33379270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14392666E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72750013E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36139890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70072469E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25310648E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18804137E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.77648167E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71497444E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49387110E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89096220E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89054219E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63613074E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05322443E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38376896E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90028453E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.58546381E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04292940E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98058712E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00587099E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.26819007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83167411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55388868E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65092619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89106075E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81439876E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61219915E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07431384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.14216020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85426268E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55398566E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26791395E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27275305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93685375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95217230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14865006E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91251986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.47569618E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.70427008E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83952175E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.07648139E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40175788E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06821536E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.15735362E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63556530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40542860E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.70184897E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31006183E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43066231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36062067E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.54288783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.13594247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19819426E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12352900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.49787443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55187128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09750380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06326747E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.54561330E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78411369E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.01177648E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.56022619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22881251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.31199508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37344738E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84824523E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01483684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.53250722E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38191958E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05183783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.22555170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.69753240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.00034550E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.59499230E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.18954620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.43682920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29806040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.98621820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.15045690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.99056248E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.83253203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.08197090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.11058040E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.41708550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.83042380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.51566351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.96388350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.60567750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "81": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08317392E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61959166E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55037393E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11756903E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85467326E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92058604E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82305138E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.77620999E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.34785315E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20245614E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13803407E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98934423E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21408009E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76558875E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00041468E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92250228E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75625842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38838929E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50798681E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.39234664E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64493482E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53503788E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17395792E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34404778E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30103217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08713322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95482347E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70648845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.63840443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41182154E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99435729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57107513E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.93730699E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80210667E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14776490E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15248188E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44027116E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63861053E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23254424E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26461019E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.14050137E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16087264E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.37180882E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19075911E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93342449E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.21124918E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53235797E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30024376E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20160416E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44177221E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.53191800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97402907E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11586230E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33259168E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66558425E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11668615E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20234311E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.85494228E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86846732E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13766076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14047523E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85342232E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66929975E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19941873E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30750579E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32345763E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.86406730E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33382249E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14858642E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02145799E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.96204457E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73370770E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.27334951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20225805E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23348598E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22883081E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.91065721E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95818357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27419197E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29102701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.29900666E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.08902776E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23435634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18977792E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.38315155E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67838812E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97031244E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46000123E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19190460E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.88158140E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.35358702E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.86621332E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.34716156E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60491225E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.29421286E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.46324615E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47514941E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38528611E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.73143104E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.26020945E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26950764E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12754633E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.34585170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84851434E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.80387560E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.15479270E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.64325060E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.38333960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.62574300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.37609530E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.32558970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.18902870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.97006060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.71719257E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.55971960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.14529360E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.55057130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.37430000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.69419470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.70387530E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "82": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03920992E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60745089E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50560701E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09916723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.77129438E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87785537E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79897043E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.64376436E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28277909E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17378222E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12556188E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93460787E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19483673E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76553704E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00944437E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02343126E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77158135E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39375377E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50914233E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.33306502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51284790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44322020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13338228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33520758E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.66289355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38222437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99415411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87779630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14812985E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05688205E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82986806E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02009700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00757759E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76195404E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73209670E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.36179420E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57385946E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27215669E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51651434E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38991546E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69167353E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40582831E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04783130E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69525107E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16748139E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03300162E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.08426049E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.58100535E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34861189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22977303E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.96091080E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21115343E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24885742E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09098696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10045433E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37014093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35190917E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72037399E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38640900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43723532E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30981319E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.79468534E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16722126E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47172940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66059717E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94523129E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99471210E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47942422E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48210727E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12655416E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.36032112E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90442930E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.06947114E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59753456E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43838189E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33891512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.51614919E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.29820864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46927739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40562657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96399991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47266844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45146086E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29817645E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.64854429E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02082119E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14895975E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.54398069E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46831410E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.24230360E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09185623E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.01386845E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98309666E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43055149E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.36521457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.94695785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17364859E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20272063E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.62387444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.57433130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83923557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.42424682E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.12384386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51904517E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.39821280E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.39018360E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69593030E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.58834620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.81737310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.45535530E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.67217820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.18902870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.97006060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.72401449E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.54183020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.18223590E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.68607150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.93342690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.69419470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.79695060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "83": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03279728E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60594003E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50023107E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09659438E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76143654E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87757098E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80294416E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.68441494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30762118E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18429093E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12934090E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95072040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20148524E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76415906E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00160154E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95642414E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96720913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58455735E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60682868E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.84446368E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01460101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79343442E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39126451E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52760043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.20872979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55740309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20235441E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91807846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17319772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.44630190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71155204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39027432E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18864596E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60259186E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10259750E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.25482293E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51279614E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99433630E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39784722E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34061524E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48671180E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31656758E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00691425E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.50505364E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07848216E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.90002640E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86642104E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46558862E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28558344E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87901309E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76206018E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09508372E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17949694E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66892149E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84609275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21095148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24827310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10832128E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00037196E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22846634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21256201E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.43653019E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14886756E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51587169E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16078605E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29139770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27388150E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64639539E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86670798E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24589026E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79811197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08586225E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.89743601E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00615172E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65206540E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45619569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.18294249E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.68616244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.70061415E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54602704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.80349429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.98217352E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76443173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49348569E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.02887499E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47148940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46379012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00171907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.36615290E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.62259800E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.59714224E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.64921518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67445405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76033232E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.09822722E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.89976220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72075403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52620972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.54854988E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.73159461E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53363981E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26389863E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.47623445E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75081190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.90011350E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.54755160E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.74723030E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.79102810E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.01257320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.53621310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.02677690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.18902870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.97006060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.80941530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.71433390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.22044320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.82416360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.05044650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.69419470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.89189630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "84": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04328296E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60878604E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51104078E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10210157E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80329257E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91215357E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83148210E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90430630E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47126112E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30328519E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21383059E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52683277E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57601432E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99746223E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14186935E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69879961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98537556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43269855E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52179619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70210495E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28565464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91406006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39584593E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44913673E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99319907E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61426467E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49544470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17739099E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39471720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63080241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94222392E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61057660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32024835E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.27723529E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28226500E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23716897E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49958826E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.91977297E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35950468E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32435645E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43008453E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29715439E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.98523381E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46402852E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05702902E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78360770E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81001475E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44518465E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28266698E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.91437607E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81515268E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14893627E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22679379E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.05253391E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12721577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40705992E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37916628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.97328043E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56696330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55222864E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39354574E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40356778E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65339944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75549207E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28366001E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82593378E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59381310E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80336900E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22511021E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35633203E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.20206304E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25293395E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06543755E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37408365E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84078958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55763068E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.74759532E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00671952E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88587114E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65398832E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.42388617E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.34235897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97421678E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61452746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77324890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.06980661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90486308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19140848E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.50365330E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00169860E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.77665712E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.22560061E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.91651729E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.87520688E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.69525563E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.22731107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.90760873E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63559770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.19392819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.11237947E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.75460404E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38654510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.93276104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98196926E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.97799800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.74645240E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.80050460E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.99979830E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.21133030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.61864680E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.38918930E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.18902870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.97006060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.04617644E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.97230780E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.25924860E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.96485270E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.10874090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.69419470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.98871800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "85": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03754266E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60756732E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50756454E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10041425E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79170008E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90456184E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82735521E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.88381781E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46161058E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29792522E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20951378E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49079727E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55248237E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98455894E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13237310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60172665E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93925893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40215313E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49006518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.40009193E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96998212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76960781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33865293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52849989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.40280959E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92922327E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87060095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21779535E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34057291E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43093309E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65310412E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93184753E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48233685E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05065044E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74708820E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22514073E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49328542E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89373757E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34540998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31404445E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.36081323E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26034744E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.82867088E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40526138E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03556174E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.70312327E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77583752E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42669003E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27105258E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.84079236E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76931664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11949012E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20757492E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93043835E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05244136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35983675E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34978352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80762081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46674348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52117161E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39932798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.59663105E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90177578E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93158649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.32294020E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34091545E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84207970E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90349494E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45722599E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42827574E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46622390E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36209248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11502975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.61830047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96828161E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62690283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.13512832E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.22990118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.01862670E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73527665E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.92561226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.65332164E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16600816E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73092873E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.51050663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71596180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37613991E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38924678E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.35477920E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04268400E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98321112E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88346447E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19004513E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00480093E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03658327E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.59179133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.11278761E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75423084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88637366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.51843951E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.99043819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51897674E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.47768462E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.31051189E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31429920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.94963170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.85470260E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.21202370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.41360400E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.70266030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.75949990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.18902870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.97006060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.39718732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.29660660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.29881430E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.10817710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.16822770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.69419470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.08741350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "86": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84934165E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55727982E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33333278E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03305171E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50878878E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78018860E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77104887E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62907577E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35084604E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25359087E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19399016E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44611091E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54405149E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98693863E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13855932E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67235242E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98905662E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42176482E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48676183E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29569389E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01235807E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99157956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59355031E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61594539E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02237996E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.34497875E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83634273E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36047288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51919804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.79563636E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55280780E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02733349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56487403E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.54954093E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30658080E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09240457E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46936254E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.86720524E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35477829E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32396748E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42092331E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29295561E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99199500E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48036474E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06909770E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.85614099E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84751958E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46120100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28839840E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93309266E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82182386E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15113062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22774645E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.07023034E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.15260238E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43122062E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39823737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.14689657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69761160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66798036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49531338E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19507828E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27930628E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14215694E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04280197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87911534E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12901840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01991605E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.72386419E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51266655E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.78445447E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49739625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17779568E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.92974342E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13099639E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71566635E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.63621636E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.51936974E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18980829E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83803620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05361722E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01789626E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38275010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85761810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02859548E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46214376E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.89531825E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60155240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.17310010E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08532810E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.19499697E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05625936E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.47320067E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13869326E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10574209E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.96871492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.32577946E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.87797546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06118338E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.94541468E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23924781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65912723E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.05049919E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.71497957E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54437450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.16107880E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.90986010E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.42782040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.61949000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.78826080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.13755060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.18902870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.97006060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.80566833E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.50995210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.33903850E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.25410770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.22890320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.69419470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.18799660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "87": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84371051E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55579549E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32804397E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03091859E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50374715E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78346398E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77878242E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71715150E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43144338E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31937946E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24426665E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80445190E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78334722E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14099476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24157665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48288736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74581374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01821968E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88385030E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16651426E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.27817685E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59110080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86915853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78061408E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06375341E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41350169E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81882595E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20757227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27918777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10988809E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81255367E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99335420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36807871E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64346524E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93503774E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80372852E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03189773E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16755975E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22147330E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55079174E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.26438440E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.53690582E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40633248E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.79331856E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46076546E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07624065E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84746946E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24894912E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07494095E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29710662E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69154441E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40902363E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.58236274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18117168E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35483755E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34426216E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.73036219E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53285594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65146153E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53257454E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96446508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.20832153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96110393E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66122030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10335099E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81569142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50864374E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32930773E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.27408686E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62763803E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94357307E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06374849E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.84105995E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77706328E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79786056E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.54421545E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08970031E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.91486282E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38806410E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58918637E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.98166481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21572630E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31522688E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30987202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56950813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45716053E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63739717E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54682097E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.10892022E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.32796809E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06217039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72483547E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.44442640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.10584553E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17398439E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.21833016E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59769998E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.63258645E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13055070E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.34078214E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10226551E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.66855413E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23464869E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15729150E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.26185896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.49925762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98336061E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12580788E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.34305699E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.48321822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.80666069E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.89910254E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.22402675E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.43923356E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.02175930E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.38634400E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.96606740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.64764890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.82914730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.87553420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.52393630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.34830080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.57101590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.57575128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.51580070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.37970300E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.40280940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.29083850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.77165550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.29054180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "88": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80637454E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54565391E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29025534E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01398728E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41000586E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72227002E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73398013E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.38432731E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18930089E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15030901E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13167503E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.10126100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38022357E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93752549E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16223063E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.40413801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89271964E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09255096E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90334119E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16206957E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95240013E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40167821E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78644802E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78880794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12166955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.92917128E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12676255E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41587287E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41536909E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45176626E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75433310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68840517E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44084048E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84189642E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48703242E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42385115E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29575073E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91156101E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31827787E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60897690E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.52973280E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66006441E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46357061E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.06134752E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59031281E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13994974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15889275E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40030618E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14898220E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66416364E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87641684E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50369857E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07490645E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44133487E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49507777E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42139656E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16491585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78111968E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78911707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59908919E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27672688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.34249846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04270430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71987994E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.54053376E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06049878E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67964283E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42812749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.24735719E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70583929E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91076485E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.85825613E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48807969E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63637719E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.44716749E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67602081E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00843141E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28453851E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98976819E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.89671892E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18688564E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.83004111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59408391E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.16976006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.36923361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.15999778E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84906374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08273662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.32060758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64577233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05532075E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13212790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.08442864E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64445375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.84867005E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.23362843E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24392868E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17391870E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67450726E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20816203E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.10267058E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.43590380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25894179E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.80369927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.79815519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15428241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22496912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.92413494E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.82010169E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.99469002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.76106847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.71576329E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03726185E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.25674441E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.62897530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.02306110E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.87016050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.04253530E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.96448320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.91861020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.55271870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69360440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.34349907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.08871430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.21315834E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.42144110E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.55431040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.35403280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.96196300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.39506280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "104": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.45971372E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45277067E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95589869E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87427357E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77491260E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41875952E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58684788E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.67072072E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85745371E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01242429E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09863494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49369432E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32805196E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75165842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62432299E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.48726043E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60818993E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35050623E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00685958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19873509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36322132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47397460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66290353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71368848E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09968864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.62332857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25434932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71896249E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76787141E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91893278E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.62245397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12840627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68104897E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86618595E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66944138E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40726651E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11539275E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.97543058E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15716432E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24972927E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.12608799E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16582238E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.39527408E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.17296069E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89445241E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.77988939E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.15290693E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00545299E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89963280E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00515616E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59610000E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38149056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53126752E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19843225E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38043987E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36827280E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.02165558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71161106E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75774609E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64586005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.76452114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69866732E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28431927E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86420837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05649370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00091584E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39968855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90788120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01487179E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27128262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69365094E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34013783E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39316151E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.12287133E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85103885E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.73082876E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09975896E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.66024218E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.91198361E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89727383E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.72037069E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.19357011E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87049422E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62482500E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.37938274E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46442030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18523754E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86743573E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09370867E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.30908807E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54225099E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91968284E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.86797233E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.68566135E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11061498E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.05738045E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66948535E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.65825577E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.39768115E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11525306E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.67292481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.22162592E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13265535E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.04466398E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.29801869E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.82037167E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00408899E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.43369996E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84740674E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42594119E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.67971938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.80557568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19865127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.10687970E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.24239160E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.07690110E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.19630190E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.23829990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69807920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.74061520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.24550720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.28230330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.05819880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.71757250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.88483390E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.19087830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.32395360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.51827250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.65124730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.25566260E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.31336740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.13524270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.31157030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.35804970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "105": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.48201058E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45839431E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.97243937E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87884252E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.78509755E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41895007E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58547563E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66246697E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85504750E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01182174E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09683385E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40495028E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.19081632E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72840331E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64620158E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.72211688E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73797828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42450512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07295190E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27154060E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99891549E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95398844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96575131E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91313087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21884005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64699481E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73539475E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88065731E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71030365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.93333671E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77147473E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34296094E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04639062E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05326780E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37466641E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70246458E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22351839E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28348255E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37798186E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36856093E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72736429E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46452015E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08680929E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89639200E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25034203E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05398251E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02954172E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44617978E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21385683E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.15501878E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19379644E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69676784E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.21860425E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11425253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88640686E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65171375E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.60373313E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63349012E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29934342E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96079604E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17347050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93283396E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01901444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28835539E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26200195E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92360331E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74914496E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98794418E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05333582E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54235488E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86377054E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42362834E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81075959E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.20758469E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88349036E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.83357432E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13485612E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78335066E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95467280E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91326925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.79197118E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.23238802E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89447010E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64046400E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.48251960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52785055E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22131382E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89060790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10794937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.39081471E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59301360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95231451E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00583669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91349583E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28672321E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01344722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22744429E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39860602E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89340694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27213020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.32062111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.52682219E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29072634E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.90467043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.79000301E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.10534277E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17354346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.45216777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.42980502E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73912411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.18764702E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.39295395E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39909052E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.67950310E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.28803140E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.15164320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.22507620E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.35815110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.75107720E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.27933900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.51985130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.41803270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.53173600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.17967740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.29031240E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.24502460E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.51859870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.60032160E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.00520310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.44502000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.07989640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.36459280E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.44660910E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.66139900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "106": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44306651E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44803255E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93619198E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86438395E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.72137771E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38851120E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56979902E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.57570965E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80158923E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97348014E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06418075E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07535116E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91461294E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61932832E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59370347E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41298089E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59711467E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36983861E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05545789E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27666466E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.06114934E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01770714E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01567875E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94431003E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24540150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.21107798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15215962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17914727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88993439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11859288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.43641290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51855356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97685459E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03733543E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44054872E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79881230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28607752E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27620868E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39028684E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37968488E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.79810798E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50290999E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10574052E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98641575E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29282247E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07366868E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11871372E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48664798E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23283977E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24699591E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23910466E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71936945E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.33405454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17547124E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.91971029E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67176178E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.77614838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78615135E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43081630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06268084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24946157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.47321769E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39744629E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55098345E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44302711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08080291E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45635704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38722015E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21119972E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07334156E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03611956E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48540597E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65920123E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.15409231E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87038318E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.79029974E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11888521E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.72153402E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92829105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90053277E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.72572898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.19884897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87877740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63400192E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.46375914E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52504149E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22194042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89594380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11328146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.43180389E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63022484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98436482E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02875500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12331357E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43748428E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10514040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.71169071E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69399665E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.28955831E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39563165E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.82563777E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.76305845E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41262994E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.56651346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.16850124E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.32514262E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30454962E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.23776632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.88214729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98934605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.47786994E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.98435704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62225990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.26543170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.33381980E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.22743380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.25424590E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.47958640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.80481310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.82445660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.79605680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.55396640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.76948440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.61174920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.47705550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.29970090E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.71595640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.68355130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.35736760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.63410650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.87616010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.58267420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.58358950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.96614700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "107": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38087103E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43139197E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87782538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84111335E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61848488E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33990973E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54553752E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.44845948E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73128282E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93232282E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03689590E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83424485E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66344976E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51394996E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55986729E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26949080E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60157935E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43095111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10472302E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27587615E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.00911078E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99699561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11152246E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04652189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34468406E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86593700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56826804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41276143E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96206854E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16914142E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77732332E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87008918E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12977038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13874394E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98853433E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06599422E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40911682E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.41601473E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48617304E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42984620E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04319189E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62300194E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16607723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29355507E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44932956E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15345912E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52616083E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69469722E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33900382E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.79148775E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52197827E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86895872E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01400605E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61833948E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16923472E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81504336E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05968761E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27000998E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71348935E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22332955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34606879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.03222188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70235819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70870426E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51413153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37775950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53127761E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37188036E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20757112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09607425E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06835377E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50505939E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50826379E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25732048E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89078310E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84946964E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14028198E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.80448289E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.96415629E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91822076E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.82038620E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.25146118E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90835205E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65091372E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.56504142E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.58649512E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25906629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92134884E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13006066E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.53680661E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.70242904E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03655314E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06490529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37740289E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59755195E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19616704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.17587366E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94149668E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.62593619E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50308567E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.27380568E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.97454580E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52170465E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.15651511E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.50388945E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.51911949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41969507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.92526591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.28057634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21417901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06796329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.56898773E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.85350008E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.79137450E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.38024710E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.30437610E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.28382650E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.60265290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.85930010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.37971300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.07581950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69096900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.88770160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.03980800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.49806610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.35510590E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.91607710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.76797360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.70896260E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.82354290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.68596620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.77661490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.72248450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.27273510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "108": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33269623E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41851417E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83268372E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82318050E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.54099166E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30477679E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52929369E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37356296E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69817603E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91879784E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03264584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85198023E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74773856E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54405948E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55186768E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16054784E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51401938E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37400874E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08750776E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31115890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35357781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26866244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26325371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16866319E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41004686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72303455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51599702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37675879E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08066643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22202827E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34117242E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35468451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30901222E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23322316E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.50849182E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34128974E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51496815E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.32558353E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43810001E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40848826E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.95180081E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.58243045E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14620015E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18659046E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39042751E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12203808E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.36441752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61240540E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29692845E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57387226E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40746952E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80729469E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.80046315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42782244E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05982411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75229867E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02348390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.03259619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55051710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12253603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27547462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.56428591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42520750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55567610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44020629E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99628812E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32397680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23440848E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13579586E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75133443E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93160698E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46599600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28418812E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.61082747E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97163167E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.09272802E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22551945E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.14110391E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10984399E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98633142E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01599233E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42985895E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00646273E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70686814E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.89340908E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.78325035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37883655E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99543036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17621890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82594027E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.88239844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14868597E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13375706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77919293E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81695359E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30867606E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.70614201E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18371696E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.95845653E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60576278E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.68803827E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.16708418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62087843E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.69589193E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.81243689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.69894774E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52675721E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.56323870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.65189758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.42630398E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18377640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.15030549E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09013101E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.46382300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.42860150E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.38249920E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.31382920E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.72736900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.91454560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.94805570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.36037060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.82962850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.94657160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.47700620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.07527960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.41133680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.11896580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.85359300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.06089820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.01377970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.49687490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.00918740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.86331370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.58155380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "109": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35477948E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42425298E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85073488E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82894279E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56031660E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31088246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53074373E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37080431E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69206830E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91663745E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03935295E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04140768E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94101657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56370723E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55195065E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24359501E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55475860E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38025689E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09895711E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36255520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.78863358E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52626730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36054257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17140783E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39704603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.33929881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82691970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61827476E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15134839E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30739224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75243499E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51275426E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63479795E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41920868E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36041219E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68802643E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61967065E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.48006000E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55092594E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47009910E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26593635E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73989099E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22529921E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58650128E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59170756E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22190178E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85526992E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85505383E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41889116E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19798356E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73211614E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97914836E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07276890E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.93870073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34869396E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91668183E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11578146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56743955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85973189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29621374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37655785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13789707E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73541932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72428035E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53188993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46635783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53510826E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30091525E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14076172E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76111994E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98548630E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51012149E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38107414E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.17486083E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09710625E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.47059397E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.35989800E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.67555707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33862604E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08962654E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06540434E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.68010879E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13953401E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78012166E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03061016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.02053597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.51826932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07844566E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22627777E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12884239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06691699E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26246422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20283487E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.17418477E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02984495E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41764949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22202021E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47485926E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.27363523E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70381075E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.08724823E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.35300194E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71614036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.21050686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.10431960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.86790524E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62678574E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.15807475E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.00018295E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.62803706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29622784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.73130264E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33139137E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.10230640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.47812240E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.46179140E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.34425790E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.85374940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.97055380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.05319710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.65066650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.97037890E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.09769260E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.93365800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.19834210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.46848190E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.32462350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.94040840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.41388270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.20517740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.30619010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.22574390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.00607590E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.89294610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "110": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30790073E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41178380E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80722313E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81152422E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48200978E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27280674E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51137241E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26958422E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63682414E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88318618E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01460230E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82599136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85010707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55613261E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53518952E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.06034996E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52389804E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48598262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26273664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48192341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49218137E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89522756E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52081241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27519042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47398207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01212820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.34978384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98570897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36186210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44065118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58616473E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07113026E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76601076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47284221E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.67102624E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87202974E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76788003E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.56767129E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59815913E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49176224E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.36225556E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78361874E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24556053E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68302495E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64005873E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24729792E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99060779E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92620332E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45577396E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.39082729E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83491978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03450316E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10273535E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10298882E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44044885E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97084568E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15095596E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81030138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03337528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41832707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46536534E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.76333242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.16559936E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01656733E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72178445E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.66664388E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29997901E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81569298E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41687474E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96883625E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40532021E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62899706E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.46060038E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00490181E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29741144E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.08289133E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57989810E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05606975E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.72776544E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27361906E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15753844E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.16182727E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.40062481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92576284E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11340668E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.50429554E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80839128E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24864464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32800129E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.74500760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.42566686E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46982695E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32177162E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82085010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35843742E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57250538E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88647200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.68271890E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.57413318E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.79726212E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.46792982E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.53064345E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.80729002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.70399757E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.38453473E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.03046042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.72315472E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.73205155E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.33804247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.82549268E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40760720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.31551503E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.57727957E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.76354280E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.52987140E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.54224760E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.37510410E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.98177670E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.02731880E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.11339070E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.94753580E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.11355660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.19949710E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.42041280E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.33156160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.52657020E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.53303940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.02841410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.76844660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.39793820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.10962200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.44286260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.15075900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.20718440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "111": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32963330E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41739348E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82465082E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81688027E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49750743E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27556012E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51045074E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.25492477E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62692302E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87921293E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01528250E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85639221E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85602993E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55479559E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54208281E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09178461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49695883E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44862684E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23941946E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45327487E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.42652522E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89988043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50545010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27639863E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46622500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01751391E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.33666160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96490590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32459114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44148354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62084423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02501108E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02173530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61951163E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30567041E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12630953E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87841022E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.64035460E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67539711E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54120168E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.63766306E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92907417E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32079851E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.06807205E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83563724E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34659656E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.49771151E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18656967E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58946423E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07478064E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18504607E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21582578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19855066E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.62105175E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72828313E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13589614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24987371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45146995E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45918639E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69200228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64981508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96198520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.91865076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48501236E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00814313E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13398132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23044305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30056071E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60850559E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.64977666E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62158027E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69239534E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54199716E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01102172E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31959730E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.16361322E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60722075E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06490935E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.75930237E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28674177E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16330175E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.18666491E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41119063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93047679E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11605941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.51860397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81480198E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25634226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33428798E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.78775550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46649120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50660604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35129111E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.02220029E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48570918E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64791602E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.28891144E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90205073E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.87763137E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89116232E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.84779561E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.70663049E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89694015E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01865253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.65687769E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.18775230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81605888E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02845292E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.66432202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.01796245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51771310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.90404148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.82760263E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.54675050E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.58017300E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.62392160E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.40638100E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.11151250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.08487550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17559820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.25165600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.25944750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.30142680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.95469020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.49761150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.58565560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.74427770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.11764040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.12505460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.59233500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.91003120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.69315830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.29740810E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.52452980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "112": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28348976E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40500323E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78082602E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79919419E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41844044E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23756166E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49085023E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.14545754E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55935593E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83304454E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.79256875E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50286995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48192450E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38338824E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47319109E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.77046508E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35314782E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39833265E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22760060E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44415827E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36454097E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93554622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59885499E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36308348E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53009368E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05739052E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99755409E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45664074E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59941275E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59387103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24871674E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.20059377E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13181760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70060631E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79908964E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38774122E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99585090E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62254239E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67351088E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54267713E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64652737E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93278966E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32192978E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.06838514E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83439975E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34635907E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50176263E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19117104E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59227363E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08826107E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19212664E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22045165E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20180315E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64417067E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74449587E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14489856E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25084340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.39299969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.37063871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61453565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58221789E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.43617305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54424193E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22859365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83196222E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01548816E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.45665731E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80743078E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40453853E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94444049E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42238079E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64434980E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62530847E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12641028E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57143981E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.90755626E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86941813E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16948288E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.21329700E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49726094E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26680872E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.72058114E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69747256E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08869290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20507178E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.03358308E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12054118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43347384E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43941821E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.42314879E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.83670490E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72158764E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47396736E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68168559E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81692311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80289488E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.95273237E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13931454E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.17203182E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98173822E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.21312396E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.87588980E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98319291E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06514404E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.91938275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.33941180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90557653E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08169625E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.98022315E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.20617398E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62686943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.49799127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.08241165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.35545550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.63409000E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.70674540E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.43807140E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.24287770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.14317510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.24006290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.56372870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.40830290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.40619090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.57011180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69058970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.64577180E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.95826860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.20804870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.48406170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.78852700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.71092530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.94737170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.44597300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.84523420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "113": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27196403E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40181172E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76915925E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79430975E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39815540E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22955007E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48813092E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13670521E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55206807E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82164857E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.62298159E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22953390E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92147343E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67361987E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88208746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93567253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61256521E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22237016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39805397E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85855904E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61491969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55467881E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43180164E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64040194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12017162E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24649384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60033228E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59484257E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71841941E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08733039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36593759E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71258074E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29886893E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11526856E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01964399E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02242410E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78822227E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79251465E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60979217E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.00506570E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11991699E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41855244E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56646361E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09019500E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47681051E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16130990E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52296712E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76040809E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95561770E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64866537E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46519716E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33528492E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38531948E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16586933E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38862032E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39245047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.25374353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89609360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92614557E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77868026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06613145E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.28508530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68624509E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12194485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19933177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61340776E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51823441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72049802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13589190E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81167733E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75663167E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59436390E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16714124E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.66916817E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21164227E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97833395E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21242639E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39607613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58130105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30861623E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.94343971E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.82295013E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16242539E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24984606E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.31451415E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30119781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54951252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51544014E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.92648999E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.16215777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93198011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61038598E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.53123860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33182672E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09880286E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34384342E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75109060E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.35019270E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.66784641E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13455133E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.83105889E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.16214588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12935368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14399278E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.36596446E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.59859044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.05940889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17436154E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.54501004E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.55573168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84637679E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.87587823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.73547013E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16249082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.70279140E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.78266020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.79146530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.47094850E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.37732600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.20262000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.30923280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.89750830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.56923860E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.56108030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.48076710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.40439630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.05572810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.70493150E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.17511690E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.29967600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.85217230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.98922720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.20311650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.59648780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "7.18975850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "114": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26033797E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39861654E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75619038E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78781943E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36271088E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20940507E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47660635E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.07431758E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52631940E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81906673E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.73215188E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42119864E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18800440E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01508625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36424516E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85520434E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72596203E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62189952E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24697245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32834569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20140838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08075010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31631115E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26480640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49018114E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.32444366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63329153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.14759330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19116357E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36044159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45721060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24430169E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56942043E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25619421E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55232207E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42215460E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.71686810E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74532433E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58527086E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88873651E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06645977E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39360764E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44592635E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03101177E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44838769E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.03168972E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.46705483E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73705835E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85790925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60557843E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44367888E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32305040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31531519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12995646E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37364697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38977369E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.25862051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90657956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93087963E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77481973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05691523E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.21876676E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65091628E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12745834E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23561840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15215577E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03290889E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07920174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01708236E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82197574E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22215679E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.54995000E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24588240E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84906635E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78025433E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18705384E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29691001E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.76369597E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75087939E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39062891E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.35540610E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03779425E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27934635E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31616835E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.71117594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54825517E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.70176626E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61169459E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.53741366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.53846630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16557103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75695437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.42412193E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.86065188E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39010364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06334671E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04850930E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.50808070E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.97374160E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.22900735E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.21249703E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.33899326E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21940907E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19257744E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.64054411E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.75809214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15442287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.23219110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.90479978E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.78889544E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00313700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.92431016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.28863198E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64962588E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.21930980E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.84195530E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.87652480E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.50345010E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.51201030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.26244900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.38187320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.24312990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.73549120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.68512420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.21322040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.41562200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.84745690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.76703150E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.39476780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.39251070E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.22196320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.19499970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.31532480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.74898160E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "7.52088120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "115": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24911974E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39553632E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74440734E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78234057E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33412453E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19286823E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46626125E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.00439183E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47609955E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78335897E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49346305E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27963478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16130723E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08713492E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36289221E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50071675E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49964280E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60178408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27387670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34457367E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.23908379E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05250060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30429246E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21291361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44784260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.35071470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68943819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26438607E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08357640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25477219E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.81432891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54863722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64221974E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37176563E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.14006031E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81644620E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85958919E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85210836E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64516561E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19261901E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21611493E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46698725E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.80711749E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20962760E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53668391E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.46558964E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67953739E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84065184E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.35772192E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84695318E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56403755E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38684653E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.67743193E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34883152E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51336173E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48260944E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89476072E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32898726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19974406E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94895519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16746630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88254306E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03845438E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33493378E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33543728E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.60463468E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30204003E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29863045E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16588245E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66269622E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63584306E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.14115010E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26167483E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86623031E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78557699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17917223E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29058532E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72578478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73182164E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38169477E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.31698941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02355784E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27480958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31508533E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.70380044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.53880226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.69940113E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61142365E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.54570638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.57377187E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.21004120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79994676E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.77276302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.11396721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54685635E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13037590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45034450E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67754940E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.29160971E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.32630148E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.60235385E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.51835799E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.30999477E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24103456E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.91175637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.91402590E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.24626977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28744995E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.24474052E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00883114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15336038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09445192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.82415648E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.72630012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.85399940E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.90063440E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.96276870E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.53637740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.64843370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.32310710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.45915270E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.60494800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.90867230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.80718130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.92753000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.35089970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.93020500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.82991530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.61732500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.48660810E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.59642690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.40470800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.42556390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.90347770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "7.85726310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "116": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23799264E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39243286E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73221874E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77654820E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30361696E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17550479E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45627386E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95052171E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45135157E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77399324E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45016585E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22044631E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01773055E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84961315E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24104198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59874466E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75488016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70799507E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34424619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46206219E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.44923485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23597524E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06634763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90453402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91962782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21287140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.55527084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76212099E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08903042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86070937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07350022E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63436145E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99741663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49319761E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53593169E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98564610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95283268E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92544355E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68890395E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43198007E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34302600E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53313566E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.14818682E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38429639E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62592154E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.92426176E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91704662E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96476567E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00207773E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21092833E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76757524E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50146919E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31966562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70443277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70741286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58723125E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.48902770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68018302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40914977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08355329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25576715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.47618060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46042724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64115336E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55375259E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02077303E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07917555E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66032301E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33259718E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.45491010E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01679730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14742890E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39359689E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17890374E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.72932834E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.51219359E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42255879E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.29399898E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99220276E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50820677E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96269237E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.36646597E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46374386E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42203929E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.33368684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91983532E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92291987E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74763209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03943489E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.07649384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.50858263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97696303E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08142891E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71221099E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86471548E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26597270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86171370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.85781720E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.56966134E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.41096043E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.93912208E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.67277691E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38790675E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28287391E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.14744191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.05083219E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.32785505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33730647E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.55766996E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.21695517E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29985956E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19523675E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.35074608E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03550735E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.03000710E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.96152070E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.05026770E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.56974170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.78661050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.38457020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.54091790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.98093750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.08741580E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.92867370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.63235400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.49813260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.05355740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.89346300E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.84274410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.58193660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.97502220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.61765340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.53469770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.05995550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "8.19838960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "117": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25924042E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39786639E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74856617E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78116779E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31532502E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17731863E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45570946E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.93830899E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43691468E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75966225E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.32921669E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12878219E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98100204E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00438650E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43170464E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84763220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46049200E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46987096E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26498640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44727104E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.57744976E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.42001428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33513402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84369578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85078189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21733914E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59651688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78373460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92185735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82054393E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11983838E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.87400090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51783240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73895855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53124545E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31584560E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.93246819E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89712442E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66943502E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31554976E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27713614E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49736978E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96070208E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28752702E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57544646E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65176570E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76554718E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88023194E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.54900475E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94360639E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61315371E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41145997E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79694086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40153287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53306745E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48995465E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95792122E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43943689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37144210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13163157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32966028E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13703554E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94917227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95267920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74192612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00892452E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69421784E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01956499E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52524012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38304128E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43311967E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39600170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32297364E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.01410573E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.23876746E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.33631141E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35134132E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.98288898E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84773093E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43697264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.59249954E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.16481893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34908042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35585871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.93428876E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67303882E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78548689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66653603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.90368697E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.82324837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38748080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93312913E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06912481E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.69840840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87485417E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26036933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.86512290E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.05294980E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.87052991E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50204991E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02993794E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.83696914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.46996228E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32635146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.38892678E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.18942948E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40986042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38706840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.86604040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.41990975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.44385042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29548185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.87285453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27770312E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05298970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.01991260E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.13892610E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60353020E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.92646900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.44681640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.62770050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.37177240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.27175790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.05050050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.33302170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.54121580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.21283130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.95784670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.07100360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.67848700E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.03577130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.83375250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.64320680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.21839190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "8.54423950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "118": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24854746E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39495779E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73765924E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77625390E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.29100862E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16380784E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44752897E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88591249E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40160683E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73417123E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.12592703E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95335065E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80074865E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70828513E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21733487E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62943305E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64966578E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58140072E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25880184E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47289887E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.82329929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44618236E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10574543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72635178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81140109E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21460422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.45100752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49058231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95347603E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83892540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16166488E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.75425819E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66995155E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85479420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13633895E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70095500E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95852932E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92231113E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68599722E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40624713E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32279378E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51963552E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.06722550E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33736752E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59921303E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77594264E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83692071E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92222193E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.79057721E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.08057925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69240533E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46023844E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.11773863E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.62080977E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68465450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59444659E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.67099966E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.90306127E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65442581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30463929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43239383E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.73188672E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30197846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16777708E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85750803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06303456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.89913886E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13360961E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60458662E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93676508E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75337574E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69842390E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71465154E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90028353E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19206574E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28988008E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73011158E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.62404365E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.61015158E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81113222E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.51191306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.19089158E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92040197E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68117510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.85063897E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.81536027E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43464918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05160436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22036083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.10581277E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09943134E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31660744E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27389211E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.77011148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.40324762E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48286099E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72395790E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.24799720E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.10550500E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.57520427E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05972300E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.97735881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54313815E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36712631E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.62608209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.32982910E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49364857E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43733765E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.17195337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.61890960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58634757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39572680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.39327270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.63147721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21654060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.08398950E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.22884340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.63773060E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.06804470E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.50985930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.72015300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.77831670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.46183000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.17330660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.00333260E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.58516460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.23424650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.02296780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.30214230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.77627310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.07445720E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.05298370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.75149780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.37881590E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "8.89487260E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-acv2z.1.element.json b/basis_set_exchange/data/dyall/dyall-acv2z.1.element.json new file mode 100644 index 00000000..5eb1645c --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-acv2z.1.element.json @@ -0,0 +1,450 @@ +{ + "molssi_bse_schema": { + "schema_type": "element", + "schema_version": "0.1" + }, + "name": "dyall-acv2z", + "description": "Dyall's augmented core-valence 2-zeta primitive basis set", + "elements": { + "1": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "2": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "3": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "4": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "5": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "6": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "7": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "8": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "9": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "10": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "11": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "12": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "13": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "14": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "15": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "16": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "17": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "18": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "19": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "20": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "21": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "22": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "23": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "24": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "25": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "26": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "27": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "28": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "29": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "30": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "31": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "32": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "33": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "34": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "35": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "36": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "37": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "38": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "39": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "40": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "41": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "42": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "43": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "44": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "45": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "46": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "47": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "48": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "49": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "50": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "51": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "52": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "53": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "54": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "55": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "56": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "72": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "73": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "74": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "75": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "76": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "77": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "78": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "79": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "80": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "81": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "82": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "83": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "84": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "85": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "86": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "87": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "88": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "104": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "105": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "106": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "107": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "108": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "109": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "110": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "111": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "112": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "113": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "114": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "115": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "116": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "117": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + }, + "118": { + "components": [ + "dyall/dyall-acv2z.1.json" + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-acv2z.1.json b/basis_set_exchange/data/dyall/dyall-acv2z.1.json new file mode 100644 index 00000000..3691c0fa --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-acv2z.1.json @@ -0,0 +1,68141 @@ +{ + "molssi_bse_schema": { + "schema_type": "component", + "schema_version": "0.1" + }, + "description": "Dyall's augmented core-valence 2-zeta primitive basis set", + "data_source": "Data from https://zenodo.org/records/7574629", + "elements": { + "1": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29687389E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24571508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83382422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.00164139E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58629441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99766770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35902587E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02448897E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14691054E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "2": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34522333E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52200252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99840299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21385929E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67371603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09005872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97344735E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27228449E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.90416896E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "3": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35511989E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01233011E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13838273E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21730657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04340051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68402247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36667189E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17762820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.44368272E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82023810E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.55154907E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25548696E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37071123E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67290922E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19202868E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.47386748E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79497017E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.52550008E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "4": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40943779E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.54789411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16522522E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11703084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98836699E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08885657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68769158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04861275E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80904262E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86686838E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69265143E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31800101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96193922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.48448593E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84445860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02251455E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74948730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.95519767E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71217265E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.90653847E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "5": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31890933E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38381575E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13231718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83973383E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87378723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02925898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97389889E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61011130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27059892E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02704305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96312407E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25301829E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11445067E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50095842E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09574383E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81570551E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48912221E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72291541E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.46511210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.82389623E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "6": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.42995851E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25053402E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82743110E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96080882E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56825450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02650296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32774491E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.06582082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.65254808E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28879080E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20847835E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40303695E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77836858E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32153370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93710219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79198301E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.60203767E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84450359E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52361971E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45443262E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "7": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18811750E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75538845E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95938764E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11307086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58959691E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26367612E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66951503E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29793688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15279750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79915698E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72423049E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76179541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09319427E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29673806E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12932532E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93173563E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31750516E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00347301E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.26922465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25482421E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "8": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59925081E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35199842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29060079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48462548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78417313E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68559662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23711537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75808802E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90688830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39078229E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37104770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33409745E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45830479E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42797374E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51782600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24175730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72133105E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24505855E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17766132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30124445E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "9": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08122193E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04524252E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82912687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91245323E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15619638E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16954416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03372746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28806696E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91891561E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06490573E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14278738E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.12382078E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87382214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71665823E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95959041E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.72331544E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17227007E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58062230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61811961E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59945026E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "10": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63937466E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84039579E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58347380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39831047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70985719E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71659873E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00621973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88859221E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11904975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82176942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13403907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01356529E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34055004E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16482787E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45525847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37825292E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67057270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.25626434E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16640868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.40817214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "11": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67792806E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30926008E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18110639E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29023939E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05644880E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72817927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39450756E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79319847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75439259E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05162152E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36878648E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63828723E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32237456E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47741784E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51036063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50295268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08283663E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79319715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35313127E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65632696E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82262627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.51878594E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05385167E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.93760548E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96645265E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77612840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "12": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04215416E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61269535E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90202674E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27577646E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69320161E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01840839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31731851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45704001E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63556906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99737371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49554207E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07697801E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01639940E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34309914E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07387988E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81457930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49657424E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30731907E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94280859E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97272353E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70895143E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30355053E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89852331E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.18259110E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.88167943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.64065990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96440169E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.36156252E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "13": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22157890E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15957649E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54453086E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02795217E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24966679E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99049065E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07705104E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24983416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36586330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18932643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75866307E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.51081752E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17724199E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70038076E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26443560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95414963E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.98745273E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60395194E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.65061208E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11056456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00913311E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41539264E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59260115E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.60503944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93201508E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.27316775E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "14": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04052681E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45312628E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16940829E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71719057E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78191231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.85902809E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78633488E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52888958E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12846838E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50246568E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53084395E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29886769E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13172058E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30667196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65812543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39331074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.59974926E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24463955E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23477396E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95467725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.50710464E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24201687E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.69343938E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27082421E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73978756E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.00180146E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "15": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27817378E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76768640E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83218251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04954834E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33885131E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18038894E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52126521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81818021E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94970020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84448181E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39615003E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23961699E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.09756058E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85869276E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.91826403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78899440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00455314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82167337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48745844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.87903897E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12515635E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05818876E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.91044365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62994079E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69960709E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13423367E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "16": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54184920E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11164907E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54982671E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24071939E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93423320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38737228E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30098147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12522226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83532969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21651914E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35406263E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58029412E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10255140E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28066668E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.87268972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08585687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11045374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23339093E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66758667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77518751E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40320203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88040255E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25972350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02143833E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79833420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52442063E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "17": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83564141E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48976149E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33136839E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44747214E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.57469222E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60909254E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13372865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45295705E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.78828036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61928140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.40489018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95237127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15087703E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56419165E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05052504E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27850628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17457206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45062217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71836439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49194218E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65501477E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.68308242E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.76746292E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45212555E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.03155407E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97360252E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "18": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16279421E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90551539E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18297423E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67123592E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26420305E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84680306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02381594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80283299E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80955209E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05293044E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.55213131E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35714250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41458248E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94782136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13634523E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54180102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26478698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76934758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76329840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10804371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89399130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65180048E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13941141E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92464004E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.40546739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55513919E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "19": { + "references": [ + "dyall2009a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23346796E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.78476932E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41007573E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74788004E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16599730E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05465044E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53274876E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20131036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63465610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.55018881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44042570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30864665E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25541111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36798580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.65017574E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73826462E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83258358E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03617736E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34142339E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31765579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67450904E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05335610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.29680817E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62260554E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.49320351E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46107895E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03419230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00020592E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45810706E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89189680E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33804190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.48574732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26087470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "20": { + "references": [ + "dyall2009a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.34294030E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13143411E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67647924E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42972977E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37198760E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75488067E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79307628E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24040898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06589921E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.83698689E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99960282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02591153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26117505E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90013300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38002180E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62961267E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39371351E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23652780E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77429159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65134662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16262220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25001464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13409405E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00760068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36741186E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38755227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51056920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65373635E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63106572E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.77311934E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52194890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17820740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.60158330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32081131E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.61592664E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "21": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41738427E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41903536E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92827163E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06799578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56326832E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.40053480E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03153468E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.18667139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45940709E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10873565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53794521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18968284E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88489833E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34482262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99786157E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.89155674E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41560858E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15608323E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.81845628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58716811E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41994709E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85244917E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30219949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62543439E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89583018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.70145162E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.90398015E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57523693E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62427201E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.20758110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40858597E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.44899597E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82410274E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.53918207E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34806949E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67825538E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56595129E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "22": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59904355E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08220080E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20028703E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75260006E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76723021E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08559950E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28347658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.18272879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87263457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24079581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10726653E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36310175E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56585945E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.24167204E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28581932E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39409808E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61958016E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58601463E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11258571E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06151204E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60978595E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.65524465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63172933E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10063824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43368165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.67287916E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14829776E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.90178153E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29035248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.17650142E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.11099408E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11587274E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.82718064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17759016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25018784E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.63676263E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.94276261E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "23": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88945906E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23425746E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49284481E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.48400250E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98392083E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80999884E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54881562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02281940E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30549952E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37962197E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70502486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54357352E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26362284E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.08933533E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55165196E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93509383E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84096929E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04700751E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25192313E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56525911E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81103948E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50516525E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97932486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24507161E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98934917E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06109796E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37588688E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23466268E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90307539E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09812314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75717304E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36290735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.72656672E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46226594E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.01448724E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12966362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37468827E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "24": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13028951E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39955009E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80844948E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26777444E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21482853E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.57828283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82909620E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13287460E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76010543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52556093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.33261976E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73185288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98426107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91906655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80646451E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.47375746E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08104978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54076516E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40023428E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09946664E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02404678E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.40339167E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34548422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39626867E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56570418E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15351730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59284618E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55252279E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51062513E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27670271E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.39818271E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60665713E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.60393079E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73545369E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.73459660E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38970422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58091600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "25": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28370853E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57820120E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.14754996E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.10516328E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46032619E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39168162E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12476279E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24861157E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23713606E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67879038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99081857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92838823E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.73109324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07456911E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05540352E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00057954E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34126497E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06925595E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55796435E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66542088E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24923598E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.35147081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73085093E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55460820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16468603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24546143E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80219437E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.85565298E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12813486E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45797905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.04999995E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85361104E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.48547948E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00625150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43849501E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65856471E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.12155006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "26": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45118707E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77207145E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51309328E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.00232712E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72195739E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25460851E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43720718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37049897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73815093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83955383E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.68057226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13353205E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50648558E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15781677E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30156473E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05340213E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62313779E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63451752E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72556586E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26440696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48702824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03509040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13602691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72039836E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78768226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33743008E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00564974E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.14537858E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.76232139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64398947E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71964740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10661955E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.38284663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27876313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13998222E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.93871575E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.38275692E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "27": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63169276E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98061435E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90449256E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.95826795E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99949339E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01664042E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76620883E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49845945E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26291290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00793207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.40226850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34753759E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31195123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24219131E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54670077E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10603339E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92826743E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23865315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90349794E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89770932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73783918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14031561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56159224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89390789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43578317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42972100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20428236E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.42312876E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.41679402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83582327E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.41084226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36718561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.30218453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55517128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.84585800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23165872E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.69000695E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "28": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82911991E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20714124E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32667681E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09828082E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29530185E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11336562E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11380359E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63316080E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.81355257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18420147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.15694845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57067226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01489878E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32809399E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79211720E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15867681E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.25834127E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88385050E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09223050E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.56662322E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00208212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25096660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00810415E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07537752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.10989742E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52252236E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39880648E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.69081591E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.09375498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03413813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12580302E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63619982E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.24713618E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.83677235E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56019587E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53914356E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.98353350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "29": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03758978E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44746199E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77407344E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20655163E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60695703E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21497665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47798474E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77395399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.38806261E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36827462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94440489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80309215E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10183453E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41578813E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03854960E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21137538E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61513789E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.57239731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29224971E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27247632E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28017782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36718929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47612718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26503830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81083339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61595462E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58972602E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.94733785E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.79468770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23937001E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.86598286E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.91424038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02200580E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12440496E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.28503894E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84632713E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.99320662E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "30": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26747490E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71105177E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26192938E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32395406E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94321251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32412700E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86763519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92399027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99734993E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56276938E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07796221E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05767637E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20579026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51791203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33675189E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28306961E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03597448E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37444683E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52380423E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.08688578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.60076691E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50132696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01872232E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48276318E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.59036439E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71168243E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77340544E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.30540756E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.94217597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58060338E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.12281452E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41834351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22183430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85370795E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02189443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.29706214E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.66610901E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "31": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53393780E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01895586E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83285650E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46132080E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33631952E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45157280E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32161744E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09781232E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69253704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78236187E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17396176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39595177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36900330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01619295E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35445663E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34775500E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.12265211E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04125569E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10993408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11520023E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42424276E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85498567E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.69458328E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14658456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19940686E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39820927E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.51562571E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42967940E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23474619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.60838769E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29999784E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.07899106E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95065344E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.96231835E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91389544E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.23958680E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.93743940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.29394340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "32": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81751730E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34730369E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44026065E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60691681E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75135539E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58563409E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79749083E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27937937E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41654307E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01238979E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27489877E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75624900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54617527E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54786891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46052718E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24354100E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83184125E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17093418E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47659896E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24278408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.92665014E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06827795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66977158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55761073E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37832276E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93966317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.41712236E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17519380E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42828940E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.18532206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51670034E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.98781134E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34286056E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.62070416E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43551427E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.49176230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.64271290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.66656260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "33": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12433336E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70089365E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.09073834E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76195211E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19096180E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72695276E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29694027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46916828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01707962E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25284663E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38072306E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13706450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73598747E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11494199E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16970807E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08761420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60866375E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31073090E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86811211E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37819778E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.45796177E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29356558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69590458E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99224595E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57217638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59097324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05285744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85666170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63399733E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79699638E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74693862E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.95636942E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76398160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04220715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02713194E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00852340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.34798650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22852480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "34": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44182887E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07068138E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77244849E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92426126E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65024729E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87425360E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.81631156E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66608978E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09522841E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50346902E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49130743E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53761700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93762065E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71820397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40721423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92783830E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.41469836E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45355104E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26408063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51422736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.98886667E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51773684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07012630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42319557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77020284E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28396295E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27540235E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52657730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84809810E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43191300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98619765E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96442614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20429727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23191148E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.65720969E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28304400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.05326000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50752950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "35": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78958133E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47177995E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50617210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09773970E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13808262E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02984561E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36219834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87212821E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17667917E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76490147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60686781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95782770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15077460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35777194E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65871691E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77845230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22636816E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59529212E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65309949E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64692205E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50352075E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73373645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16494781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.83745152E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96737053E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00650311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50759924E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19952920E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07075719E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.09053896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23455412E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.01205758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66355605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43085343E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32158952E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59020310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.75853350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.79715170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "36": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14098736E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88473543E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26640299E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27776348E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.64418072E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19109855E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92722388E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08512335E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26083423E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03665991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72720374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39736984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37509131E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03394409E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92437314E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77589420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.01590791E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73131083E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02261944E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77201567E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.98507883E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93416011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25014174E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21990010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15741984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.74981830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74772323E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00089580E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25939509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.64569801E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44283436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.88093527E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03887103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58810227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.65251237E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97089570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.46380700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09744120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "37": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19635264E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95185268E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87418244E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46021632E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24593817E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38817217E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.97244830E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91561348E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82494503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34934243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47589918E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03412778E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91644514E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38934163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34534143E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39272605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.10622351E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51565722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19505930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18224075E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45122358E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26495929E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73849877E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13038413E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.77048619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03822935E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19282693E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.04398842E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24056742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.58812594E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21889631E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86157791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.51249400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31308269E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09882700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35878058E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29313328E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83857959E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92346311E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15468718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33767148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81807563E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96570358E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48160781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44919987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31308269E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52240840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.03966290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "38": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33040464E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17820441E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.36769195E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58723283E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61892389E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50982015E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.40460883E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08024771E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48931577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63023306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59909815E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.61625372E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19274323E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51773615E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83906209E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64914458E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23945441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18364589E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57654590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52582726E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29762764E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28224421E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02905846E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59644277E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.97247387E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43302328E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34278617E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66766122E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52411443E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10542882E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96103740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24113841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08239113E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08061783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52552630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.22782563E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22690315E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.20377592E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33267649E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27365286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79046900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01243698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.85648167E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90027701E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64080283E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.95251237E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35481100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15773688E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39193424E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.81702130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "39": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51842146E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34580477E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13688574E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92930297E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.68989746E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87248835E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03524133E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.00315190E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64061162E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05650418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15892518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44957297E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08536580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97252838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44898648E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04562563E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80277639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.34352146E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70326798E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73835672E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73333957E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22087305E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27720241E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98850649E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09676947E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75599727E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46425247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16902439E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72251797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18146007E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30786688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41592236E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.12078845E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55157071E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80675520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71911945E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.73390897E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.36710384E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57343871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.94444107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51444951E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12376257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.06201960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22752100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.28852074E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86905339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.90967784E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46121560E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.70596370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.43324450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88717700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "40": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66261600E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64491645E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20995401E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13019791E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.30426785E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07789483E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10935086E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28841698E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75662621E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.55065637E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37750324E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54867099E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52391836E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19319747E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55882526E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.51594466E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05021335E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.38422853E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17692628E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71573813E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06051300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69645729E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53147576E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38593352E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19646443E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07670469E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58409616E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66133225E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93713975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27646908E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75536584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63404421E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01538082E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98177907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72340080E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95586643E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.91003473E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71428443E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67337655E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.32101374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67571344E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19744072E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.41600488E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40491557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.08048315E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.27333380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06070111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.10258546E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05908110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.72998380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28998460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "41": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75878601E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87797865E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27031186E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30099485E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.83524153E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25713585E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17439194E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53964221E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85903130E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.98781914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57161560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63730199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90587683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38223133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65292999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.94367647E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27730375E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02475501E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43062316E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33718011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94903608E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98772656E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73329804E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69730148E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27334189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32069799E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67419731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02724192E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09462199E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34448574E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07422990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78865734E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10651536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36702129E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.49875377E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14810912E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12071779E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.54435959E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62392007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.11852315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58277942E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14795285E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.16345120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28354886E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.75540311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.11593617E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.81660004E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63157726E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15100570E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.49721600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18902490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "42": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83058379E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09275156E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32985625E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47536507E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03889211E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44671709E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24388723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81010769E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96991676E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46322794E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78328455E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73406997E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33230130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59526073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75941755E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41776411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52952040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13033758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87015435E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96270368E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13525164E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.35953646E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02212236E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.14151971E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38269223E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66755743E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80248048E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55015578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32114883E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44360139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53847361E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01093462E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21059204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78587598E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02636224E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33412455E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.36260070E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.86959636E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71727603E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46816981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73102912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21406955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46937997E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42362611E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.61420781E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.51157705E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13119386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00855334E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24615120E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.75480140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42226160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "43": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98243832E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.42123393E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41263189E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70748734E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11076583E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68873582E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33152391E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14789692E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10727535E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04760483E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04122752E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85077975E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.86079726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86174507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89190567E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.97460107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82476337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26456928E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.57723601E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00970508E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81047930E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01264534E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43124287E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76707871E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53562355E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15073580E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98090543E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27831599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63804352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58508516E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.20043622E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32951159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33497729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.26297210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10644282E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52385001E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.63039077E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.78961567E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98128178E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.47599886E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16801898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42034118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.47562051E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93085911E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19846284E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59033189E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56831772E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67189943E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.34456760E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.02895210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25818730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "44": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03812002E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60075871E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46399959E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86025726E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15963951E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85647285E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39296584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38641833E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20474722E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46440287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22680281E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93597275E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.21597041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03495589E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97916502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39892076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05221322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34939869E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76530492E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.10344257E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46272683E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00293551E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68472206E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.14839154E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62679393E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43300979E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08323955E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.68799503E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81212317E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65843297E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.54355943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48978870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42811912E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.64580269E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17028266E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67067178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.81059274E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.59575079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92507537E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.24651393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06142742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36211805E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15577688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72493206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12938004E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.27349293E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42057850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.71824286E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.44647510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.33445740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90509460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "45": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14936331E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.86698984E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53427142E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06218571E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22303683E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07153699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47111213E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68792157E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32733027E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.98585898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45732886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04076251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67384737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26205521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09269667E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90764050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32319952E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46482930E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23436678E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65759476E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62654771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03619863E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06381666E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.71821328E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76291546E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85501053E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23674234E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.30649259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07796729E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77495679E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08816346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74867630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54256489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09194240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23961866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82710925E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.01980415E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.00795941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04262319E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68700502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.24883913E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44674853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.55265587E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90038094E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21821316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66483823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56775396E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.07020385E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55166920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07042480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15634700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "46": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22501375E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08868563E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59711213E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24932399E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28307222E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27805318E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54687128E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98222613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44757500E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04992384E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.68502068E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14462761E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.12558043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48566335E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20501797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.42145888E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59740257E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57990828E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69465867E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02031854E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77422908E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06570413E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34041481E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12852956E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85908587E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.14790185E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34157570E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.72179934E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25277199E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84788802E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.42960080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90097246E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63382283E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.47089065E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29882932E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95406796E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16997713E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.92813364E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01911419E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.58423647E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.19806432E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41645414E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.37983417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74495340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13953861E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.25395601E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36462187E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51330599E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.66107850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17179810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67287260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "47": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32627709E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34385212E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66641639E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45181262E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34729495E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49717156E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62672078E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29062147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57293165E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10320078E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92032862E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25155782E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.58786723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71375422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31948630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94563972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87663809E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69830415E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16532998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06561021E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88743699E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09055856E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.93286699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.01125787E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06723381E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78726782E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57290096E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06527175E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65430862E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02833211E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27018045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31021780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78478971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02501633E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37585114E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12471047E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.41584638E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.92098491E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30197607E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.65820960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66241210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63442311E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.44068013E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30023570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41018351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.49023252E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87410030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79706341E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77308350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35676380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.70459630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "48": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35489719E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53264160E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72999067E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65687576E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41634628E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74258706E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71890494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65518177E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72396068E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16836154E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.21120410E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38463001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02064111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02571146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47549182E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06064166E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22885632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86296961E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03171999E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34596600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79366275E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34478577E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58689516E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.97835528E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29254070E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.47251192E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81904394E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16389591E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07928428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22257361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01643302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74039724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94121095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.59796223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45505666E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.29142644E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.75600504E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.90961058E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58204098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.71801469E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11992952E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84928640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.48920451E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84396304E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67489881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.71986470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39125379E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.12080159E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88859610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54575320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.86147360E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "49": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47385919E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.84746953E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81845148E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92160052E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50183486E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03830604E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82783592E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.07947323E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89756257E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24246788E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53880248E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53316236E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09014545E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37405939E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64745385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13185663E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60695039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03797049E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.97637569E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70387417E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30363231E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99791250E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52811632E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31102862E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48315297E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69249982E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16342890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50226953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08979898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96529293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24311921E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04552603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.93647170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08406173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.38431026E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88292155E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.50115276E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28549670E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21604575E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49566731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31845522E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.62844092E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57312214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20908676E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75825571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61040238E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12466116E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51079303E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50882920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.37084690E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.72896180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.81789580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "50": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52454474E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.06913583E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89030230E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15164594E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57917873E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31299541E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93090892E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48643551E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06581053E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31489101E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86133042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68053609E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15960596E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72055564E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81847965E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20444518E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99464606E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21813817E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96628933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06852767E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.81075870E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66623380E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75024680E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62827500E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16829182E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88575085E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81964315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75536358E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19641083E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44395323E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47637780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15612755E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49201008E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30932764E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.44728464E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21380094E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81775450E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87074110E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35467891E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.88072853E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46260893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.24965159E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86563738E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35268000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.48705608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97708822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30747793E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.38655350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84430760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.09867920E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.96599480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.27041910E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "51": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.63134065E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.36845994E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97735147E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41778775E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66635891E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61734474E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04366457E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92710090E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24642723E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39205923E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20277009E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83575206E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23269536E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08236360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99592243E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27965036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.39705264E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40357154E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09988836E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44704564E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36768848E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27250760E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00137952E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98583849E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93385476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09933878E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53837270E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03065872E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31189362E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.96180158E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72946125E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27429080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07654083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54816358E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06056905E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62801937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28808970E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39100260E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49993943E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28185737E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61218619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.89311912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16808458E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50116370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.24046742E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35932073E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49989506E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.31672285E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21234800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.98754890E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20302790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.85180770E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "52": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60876438E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48185531E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02935319E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60649984E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73423633E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86865858E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14064360E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31765178E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41026858E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46339902E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52363087E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98384036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30289566E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.43051359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16829645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35535279E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80430789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59330173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20660620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84056038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09830964E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86945480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26468078E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35991490E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72803459E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31840208E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26824561E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30800651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42756809E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.47839168E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97970683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38969575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64134641E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78449372E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17847600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06494951E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.81746816E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81622530E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64872625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.69035378E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76389881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.54443007E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.47355997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65110620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.00141748E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.74770432E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69671413E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.27350979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59354130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00387500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.44006100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04949990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "53": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76716569E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85780213E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13271716E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91444786E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83355348E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21146979E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26645336E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80519941E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60858100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54755208E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89378471E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15140312E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38182652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.81673701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35643795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43531864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23366317E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78850745E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31752658E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24888716E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26580436E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.56490070E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53817535E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74699676E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.54270467E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54055332E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.00086660E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58408502E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54196337E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.98648702E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22303175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50109163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.18477925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01682750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29734703E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51707219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13965453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38228330E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80142819E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.10725112E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91813939E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.20523022E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78288870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80291432E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77223438E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.14272362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89787537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25505789E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.98523850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23237630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67709400E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21693500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "54": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79578326E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04292743E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19959406E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.14117878E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91258945E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49876195E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37589185E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24138595E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78988485E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62580877E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24292309E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31147981E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45745038E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18803328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53927479E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51571648E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66704355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98773483E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43153305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67400732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44011855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38533710E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81773747E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14212882E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36856349E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76346063E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.72894041E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85623880E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65397231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.48094176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45694513E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60788107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.70648406E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24418792E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41638808E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98205340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30222232E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06211830E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95959651E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.53672740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07645956E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.88217231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09925340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95816201E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.56107055E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54825152E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10524778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.27044060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39242330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51288890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.91412710E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38446680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "55": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68419928E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18980184E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13233512E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26210348E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01195802E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05703979E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96053805E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56998282E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53680880E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84080566E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28172758E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97552533E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85230780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28932128E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44333030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25379732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50895198E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71419575E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18814233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54643756E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35368647E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88057238E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30668254E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65874195E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22338533E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68794750E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60395294E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.11403691E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76882809E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99557987E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69836616E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56615246E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77727290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24808163E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83470957E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70830478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30927539E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31972955E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98545497E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38364515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70307672E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76200270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.78294801E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70563336E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09816303E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40892555E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16459539E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.09062810E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28015640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.75322604E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.50712635E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15941202E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05894267E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.08524294E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38315250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06776607E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09235869E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30561828E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.22075552E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "56": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69135026E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20875112E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21908096E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.59870904E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.14098597E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10732938E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16265510E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65400398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89819498E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00136666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35519711E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32015031E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01640318E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36783470E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.85138447E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46582573E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60287514E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22436037E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44204041E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69301170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08378872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35433888E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02287926E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54603122E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94599612E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08247188E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.55049701E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.46016392E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04569860E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71527558E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92423617E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38387377E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10641287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39076086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48896961E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03626404E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47797558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.28441861E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43669317E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60818329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73292126E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32371109E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00957254E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28336771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02508389E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13913448E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37019409E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.64271343E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.48233394E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06158806E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.90999707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.35781807E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16020581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.61444245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65873229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20882023E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79742212E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61936729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.53099028E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60275595E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.49334865E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "72": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87243620E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41747200E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23014121E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37667402E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81866404E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78398974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.94599764E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82709032E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19770887E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26033100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38671918E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11515966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33408344E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46789234E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23689284E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32869178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06199999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59522134E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05539380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44481225E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06982592E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76938206E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.15394996E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58677096E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17924284E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04973289E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97166590E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23354351E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13115701E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.37840415E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23196460E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24680285E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24178262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34433429E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09434670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15964591E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54996328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24423228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.03368783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85383465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08167322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26117130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.41138698E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14783426E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.74161471E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23277679E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87119865E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26122724E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37529808E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25369758E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96118835E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40215822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.50211299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.85832931E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01462091E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.36693168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.61593723E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43300251E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33440437E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.91613381E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23907453E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43875053E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.45958282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.80705282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12799602E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.85475487E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11953270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.14482820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "73": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90224267E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43339132E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30499750E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40860425E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95238995E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83972935E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18138995E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92828894E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24216699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46007117E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47848878E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15823580E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54014985E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56744236E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28747806E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.59273050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18979924E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66340117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37889068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62115576E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14561827E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15254061E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02452703E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93051986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23819798E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.41609118E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.54185323E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35207978E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42422983E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02081615E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49791299E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34225135E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61859909E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50410598E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16580274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48814775E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71166732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32915558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44144291E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05646937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16517745E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.62120027E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02664742E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36038552E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.78970209E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39750237E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.29704239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41266965E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43817485E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.54023040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09895688E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47017949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.83553925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02518574E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08755428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.76593302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12421518E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.98169116E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58359409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.76728716E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.60567724E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61180870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.32100976E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23704754E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33572913E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.74766339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40593440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.73012670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "74": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89486040E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44070221E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35631737E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43373452E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06548025E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88892006E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39513348E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02204600E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28397456E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65005292E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56656019E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19988485E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.74088445E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66527833E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33720973E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.85279739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31821033E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73209945E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70741883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80272419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22469783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53733588E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12566398E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23961480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30393331E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.79971658E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.14887720E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47921399E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73960360E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11009280E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78314170E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44416267E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01916443E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67337534E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24137402E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83671290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88291858E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41881361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86533841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26623219E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25130227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98501311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10731145E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55460066E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.94622170E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57423197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.75233417E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57425265E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50519306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.84571992E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.24602555E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54322894E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.19626846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20850876E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17362261E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17928550E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28319855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.46707744E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.82322994E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.58440682E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.95772430E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77787614E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.14859992E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.65176667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53726808E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.61430649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59256210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.32737660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "75": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88559525E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44706943E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40419732E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45778202E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17541137E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93723958E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.60666531E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11531516E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32571409E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84018438E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65484404E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24168515E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.94265499E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76384816E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38725713E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.11444138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44881047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80205937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.04250506E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98997023E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30707491E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92741908E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22193649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52759578E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36930257E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.20757048E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80267194E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61694479E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.08211391E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20700434E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09173362E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55391672E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44861897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85423872E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32199249E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.21064318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06617748E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51454548E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31041930E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48552798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34048666E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.35588998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18513934E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73670806E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.12758458E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75641127E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02198342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.73969296E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57367949E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.15750058E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39607822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61776843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56543559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39798385E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26490901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59750744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44037681E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92458249E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.05940194E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03883228E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.30377829E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.94095450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.96137545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.06003639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73647706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.47139292E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.92373800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.93607990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "76": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84125258E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44503814E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42839448E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47483755E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26379383E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97863824E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79516346E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20067941E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36467232E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02031757E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73946740E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28213126E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13960173E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86093142E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43663912E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37357275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58020956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87262460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.38274099E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18205804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39266806E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32460823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31531302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80245999E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43335741E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63097397E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.49564321E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76435825E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45053728E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31139044E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42347769E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67147514E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.90685097E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04668433E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40769039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61104476E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26176937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61640026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77606455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71420645E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43272601E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73510191E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26131810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91026232E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31428533E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94200435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06942094E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90704888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64280669E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.47164194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54714283E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69269087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.93709403E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59028324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35907036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.01883704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59699321E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.36773438E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.29395263E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11858306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.64688740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.10266663E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.76801688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.46633266E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.93549267E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.32851638E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17768010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.55613430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "77": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86240443E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45733454E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49087581E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50308248E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38751186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03189396E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02552416E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30144272E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40949280E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.22342920E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83333232E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32637599E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35231652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96450409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48905039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64707995E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71687305E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94587421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73252373E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38075762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48134344E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73039215E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40696570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06848198E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49613612E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09940639E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.26349664E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92779539E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.85880292E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42681909E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78873895E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80021216E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40603962E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.25551719E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50051704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04777000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47383843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72631715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26900882E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95518753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52857591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.12544673E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33700784E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07844370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.50283372E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.13017941E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11732959E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.07553432E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71223925E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.78654744E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69841212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76754303E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.30876302E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78391760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45512934E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.44288137E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75374449E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.80308682E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52899412E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19840640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.98999182E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26437753E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05750412E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.87368019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13564606E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.19145346E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.46251920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.01876050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "78": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86523222E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46509179E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54024629E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52743078E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49936115E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08144309E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.24407556E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39837555E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45305725E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.42240054E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92583522E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37018241E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56384276E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06798748E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54143442E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92090504E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85527318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02016600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.08793459E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58422757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57298428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.14480876E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49761303E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32813552E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55796681E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58812096E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00793453E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10295974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29831050E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55123428E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18167400E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93817750E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93881697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47772944E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59917370E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.51490188E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69898833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84212154E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78007220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20472312E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62738023E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52530577E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41228970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.24167938E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.68917500E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32044309E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16558301E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.24469348E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78178267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.10128713E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84941157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84205784E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.67894135E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.97790975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55252941E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.86934064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91099852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.23450255E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.76572611E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27871037E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.33480736E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.42690393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13864676E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.28400791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33781163E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.06397634E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.68636660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.08306210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "79": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86641871E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47205722E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58655973E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55076534E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60812627E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13010156E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46022108E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49471948E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49650967E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.62133979E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01847450E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41410537E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77622614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17205973E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59406918E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.19614087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99569716E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09561152E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.44951963E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79255281E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66761501E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56928335E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58858219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58685362E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61949986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09851036E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09449144E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29019969E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76987962E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68483838E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60271592E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08541062E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.50485039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71300001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70343965E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.01063283E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93569179E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96270954E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.30521856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46130136E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72888592E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93419480E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48736933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40065837E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.87146054E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51257515E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21412561E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.41432592E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85135061E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.41544342E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.99992280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91611025E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04686529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17163911E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65092857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.29799134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06895064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.66372984E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00441892E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35960199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.68188195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.59058138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22043037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.69842522E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54253879E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.94858020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.05376020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.14853380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "80": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81789967E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46710856E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59876991E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56383633E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68471673E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16831854E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.64143439E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57904821E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53573459E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80514197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10564267E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45606171E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98194852E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27448739E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64619814E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47070334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13869210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17300519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.82788094E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01282867E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77097518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.09487289E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69475032E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90513996E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71176372E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66143432E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19297811E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50675102E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32093964E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84199043E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09949117E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25926161E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.17326364E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99115070E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82712699E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.60479214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21475712E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10334669E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89786639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74702233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83719031E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.36726823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56557324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55705435E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.01127314E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79968951E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28668689E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66880202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95626062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.89419813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.23148375E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03451499E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.63959419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47359426E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80241774E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.01705130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36689729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.49018613E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.24155820E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43982705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.02529845E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.75231004E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30107081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.10672932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74486516E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08471151E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.40593950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.21519160E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "81": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80338285E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47025619E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.63555754E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58527398E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79246257E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21879438E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.87307796E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68480778E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58432979E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03105139E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21218877E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50707828E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23010621E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39805146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70939014E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80173226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30162250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26098628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02665686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26482246E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89889444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84613719E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01065745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.32370907E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91277590E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37282646E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35721283E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23566782E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36290763E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01480894E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31820210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78798622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90284415E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.15022877E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69676016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75043773E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.44562670E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20432285E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11720749E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01075987E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90314928E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96328877E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.05496991E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00496286E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.59278837E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14312810E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.80668020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53461202E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.01015229E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75502849E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71843268E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.32163373E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17508976E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11097058E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05041178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.14706485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34214699E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03451933E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21552202E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50267783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10356480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.89995595E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.66331967E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.99800850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.21750898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54175772E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.36995778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.40866133E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41384687E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.52629430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "82": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78790468E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47277856E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66980788E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60593717E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89847781E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26912673E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.10631045E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79208693E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63391338E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26252891E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32169850E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55964749E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48637891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52613276E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77504674E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14632745E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47101722E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35272879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07214573E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52715061E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02746272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.62040984E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32944034E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.68598864E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50419700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44315847E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50743314E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60444246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46372787E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31579089E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41524402E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.12587435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03021930E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66820906E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92148422E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85356353E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95192825E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44857645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24228444E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06751765E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.19177307E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09083067E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.71717990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16745290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58254189E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67280720E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06108755E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73011313E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.67314733E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02389437E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83970261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.91221384E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47577918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27108628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13491680E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.59531052E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58639830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16289182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.85219166E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75459932E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.57726240E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.20138448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76510085E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.43430142E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.42407420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64610261E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.90770330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.68433522E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54783108E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.60408710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "83": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80226841E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48197988E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72238743E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63218333E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02327402E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32625999E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36570190E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90989196E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68788402E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51276737E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43938033E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61581494E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75851541E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66121900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84400480E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.50651171E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64662683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44772899E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11901610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79784882E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15870772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04226135E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65908662E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00734400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00281800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52678508E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68636941E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04560600E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58483354E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67858698E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53250769E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53455235E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18424309E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.29423926E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19320068E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97851207E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.56967864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74356303E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39296309E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13516041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53461227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24108719E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53174998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48293103E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79158225E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13172090E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14563420E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93479123E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03643045E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30323545E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96540411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.52357533E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78674481E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43647577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22239217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.06071971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84128694E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29733557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52008084E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02232067E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.96834540E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.51023047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86924359E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.88015411E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.63519861E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75278866E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.45836180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.96752275E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.68654417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.67301970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "84": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83099270E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49430679E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78316183E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66076999E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15531036E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38575062E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.63301741E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03038171E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74276022E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.76599981E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55802853E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67229646E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03189111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79694900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91317460E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86768775E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82455671E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54409112E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16672459E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07428396E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29230811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12470444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99794160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14926500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47359520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60947307E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86516751E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48913936E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70700193E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.04504867E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65086424E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.94571483E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33841649E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.91719770E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46207589E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10147178E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01715388E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02831330E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53679474E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20014535E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.86779855E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38995036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03602518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82313749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.04113582E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56072960E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23256609E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14433523E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10687289E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.58688520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09270647E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01414646E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.10053207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60297016E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31054355E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.53090018E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09916893E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43365559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.19815647E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29483247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04070040E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.82612869E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97561084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.33493584E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.85056868E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86165214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.02103234E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.25765078E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.82952431E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.73526070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "85": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84244092E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50209341E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82965478E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68476525E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.27250219E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44042340E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88469174E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14580280E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79601077E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.01410800E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67511528E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72833709E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30437479E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93276071E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98241093E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02297017E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.00479865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64182357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21526000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35636699E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42798951E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20909391E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34586720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29471622E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92682630E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68580977E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03531193E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.91745658E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82596030E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40346837E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76678260E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34774612E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48856435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05207443E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72117514E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21927629E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07421196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29690220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67152734E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26155116E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.18686221E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53471710E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11839341E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17263922E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03102418E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97478160E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32162902E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35817578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17845424E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.87406344E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22124347E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07639309E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.41610092E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77000451E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39904848E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.00395005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35866386E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57110943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88260345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56992818E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09389180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.14902927E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.08417199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.79848050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.07008509E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97263216E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.59533206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.55444773E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97652644E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.78194270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "86": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68476598E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46794059E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74912556E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66787655E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.25170530E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44681432E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96160398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.19595350E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82417354E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.16322270E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75224966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76799035E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50979574E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04118111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03907122E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05354324E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17227450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73375318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26282083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.63534680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56553897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29475083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70279586E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44373172E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43919450E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72824122E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15641728E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.25282723E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92412503E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.70898829E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86765023E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.70190435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62169163E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10574454E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95179408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32404364E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12459428E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53557248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79136374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31728352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48261416E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67263353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19863600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52585561E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15893147E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45578300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41613025E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.58429411E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25385658E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.17561771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.35591634E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14150621E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74581199E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.94435853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49162359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.49983429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63156854E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71598621E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.60663337E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86675318E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32356920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.47900273E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19493865E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.27081990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.29375191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.08572780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01812229E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.85784113E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12743536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.78889640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "87": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69630961E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47558891E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79624375E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69317756E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38004941E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50854751E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02530484E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33247507E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88833063E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46686777E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89744796E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83823557E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85366034E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21553074E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12904353E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10053812E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39654059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85668194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32689507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.00408107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76305078E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42154544E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.37356599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90085430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82410150E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02896085E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39926505E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14802745E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23329240E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40212227E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06185638E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.91488445E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.84782509E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92886180E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05235754E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09333750E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71239751E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.62025844E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56063114E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72502876E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46581820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32526640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19919582E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10856262E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61918066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59914486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20920922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18671296E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58679899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53141920E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64324832E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08516860E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36577524E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54755674E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.89833144E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35839627E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.59356427E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54268509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23206033E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.20574287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18981161E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62413605E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21563086E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03627378E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93090740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.71728483E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43448617E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06983930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.41664157E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17267788E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.16350256E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.23759816E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.05140277E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.97658782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.73487106E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.06508071E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "88": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.67637283E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47473626E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81458493E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70814693E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46988075E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55558345E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04868766E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44572527E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94280377E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72914089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02452913E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90036868E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16102724E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.37236561E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20994006E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14300942E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60735235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97245603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38736287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35650255E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95126588E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54167596E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01211866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33055832E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.44820730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84469094E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04973308E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35340776E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35291535E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72784723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15414820E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19411807E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74623317E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23449668E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16213192E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.51126394E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88174375E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.35008097E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89178526E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88234555E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.20490997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67705333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37185370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18258839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.96621348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71455800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26297704E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87116998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00470111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26698430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89898944E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89168347E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86647304E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68317969E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22106331E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46531752E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01921002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73236053E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32378229E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.67065795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43712613E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75771370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.93708340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.44169368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14602412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.83370577E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98910725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.48466962E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59010654E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.74557142E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.28282828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.63247773E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.45934069E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16335598E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05563161E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.03560248E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21537389E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "104": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43776608E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44112314E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86780367E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80660109E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23637052E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02144579E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30614515E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78823343E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62410875E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21358422E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72036231E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74633423E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34348495E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.58373577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35613787E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75784000E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.00473702E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83954721E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34553142E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30539546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92450208E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12046322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13245906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15527786E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09775767E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20892655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54558300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42530284E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19326116E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23363541E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66668479E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13560768E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26609116E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61497270E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.95895657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02149447E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72024978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.74341517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63918740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77154011E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.93304316E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60633066E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31437267E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21213084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81687564E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81325755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10116802E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53081283E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41490828E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90381015E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02264450E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.36244094E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.11206481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71167072E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08159684E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.80816280E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29844293E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14964130E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.91677650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04593460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58135035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.07766975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02028359E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86433253E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.94567782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43406338E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.47158437E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.77944187E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05966202E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.54997022E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49176136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.92095969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37084259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67222944E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.23133872E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.90180233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73765689E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.02848600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25986687E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.74287040E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.44852960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "105": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38980770E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42917273E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83246033E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79660736E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.21725563E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02410234E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31235182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83701838E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65497953E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23131909E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81762169E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79841418E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37129782E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73599825E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43765231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80234159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26368064E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98453108E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42367263E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35183359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18216293E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26689294E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20134888E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54625552E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25128690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73134170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70027091E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49981840E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47528186E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32977141E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.99648640E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25122614E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.68198699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76864629E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05433868E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25174078E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81499925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.15239545E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82439878E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86634039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.38405940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.83279431E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42157649E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26816737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07937011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94868590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16339869E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81685127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47519910E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10240428E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65334349E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.52006067E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.47295248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82523166E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12455257E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.99149705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38366061E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19155392E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13198163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.15871218E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64192841E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.40642943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19705777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96202621E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.44952529E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71084979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.64658582E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31497973E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16487050E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89649759E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63907961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.62191215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.73375839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86568774E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.30608432E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.48750926E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.04739355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.59070815E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00657920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00560300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.68889750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "106": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35457160E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42038613E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80629769E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78908860E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20276833E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02628125E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31733990E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87641358E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67999728E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24569500E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89639608E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84064438E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39408614E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.86372381E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50703666E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84095366E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.50202800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12018661E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49918732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39704918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44093845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41440849E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27145724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93279077E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40064516E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23186239E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85892403E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56469499E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.73702922E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42137713E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31583532E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36438412E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.09199260E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92084499E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11234936E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48023335E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90880752E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.55585695E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00627339E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94642941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.76826570E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02641205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51584550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31820471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32330727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07671723E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22495208E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09437648E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53447241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26939117E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47478640E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68622454E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.85285568E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.94450425E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16956213E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18322372E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47264343E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23527553E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.35641910E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.27647519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70521073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.75096102E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38292571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06578323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.01155450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99021849E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.77565490E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75262874E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26397633E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.22192761E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77684551E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.27686079E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.07237915E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.04611174E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03043416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.03521945E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33988257E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00838060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.70829815E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20361670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.93110680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "107": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35507027E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42096203E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81119463E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79281032E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23213634E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04642763E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33004164E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95005647E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72065853E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26736090E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.00960469E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89920235E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42453388E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02677528E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59352881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88793509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.77078898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27077928E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58001806E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44518524E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70497740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56714132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34341918E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32066161E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54841657E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72318509E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02078933E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64627625E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.03618643E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52304015E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66526409E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48719085E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.53449741E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08438764E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17442208E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72355251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00813869E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.98047401E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19645910E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03619418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01941261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23942117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61849525E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37230328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58445536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21433762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29071547E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.38665291E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60340451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43052815E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36559716E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85490615E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.23775108E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06498329E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21487971E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37570307E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56174264E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27896664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58024740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39371084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76820146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.09330790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56779144E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16975636E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.58625839E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26583722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08697774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14849756E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35744006E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.52790127E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90587875E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.88963896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.38843044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21435319E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12322035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.54647777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.61453156E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14948649E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.36150229E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36277810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.17537290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "108": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33210010E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41526206E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79441748E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78820631E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22672032E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05154593E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33613628E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99445618E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74827170E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28314375E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09598308E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94541486E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44932608E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16455784E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66801926E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92898651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00227500E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41433178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65930879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49266600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.97071717E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72158524E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41716364E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70970687E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69594216E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21167181E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18588372E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71337198E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.30602203E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61823444E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99987855E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60655850E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96907275E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24613275E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23607445E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96560647E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10687823E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.40159925E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38444101E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12451766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06126490E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44838498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71984570E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42584595E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.84538912E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35280046E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35754972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.67905360E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67224568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57730903E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27123196E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02425855E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.62336266E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18530793E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25998307E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56666523E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64988073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32208375E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.80055277E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.50876210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82999098E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.42795824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.74849296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27204972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.16088456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.53675418E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19394440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.52235262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.44773097E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.82252239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.02968175E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.47684794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.69054316E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37503048E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21164248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.03493324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.87795003E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28540448E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.98520298E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54169620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.42191150E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "109": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30946466E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40958618E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77725442E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78319576E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.21848951E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05512018E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34150131E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03571988E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77461638E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29843098E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18052032E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99097572E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47389632E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30184287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74243429E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96994383E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02771070E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55996795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73958264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54087461E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23972718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87921182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49315669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10375819E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84449475E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70330956E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35494229E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77896114E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.57459048E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71399469E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.33909475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72825992E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.41395171E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41214757E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29942595E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21417831E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20804024E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.83155630E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57554506E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21385916E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10347260E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65850840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82195018E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47977289E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10928205E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49348457E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42576968E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97363744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74151237E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71266594E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.18199117E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19397533E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00089931E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30526243E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30479138E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75576267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73689519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36454366E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.01687889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.62134659E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89041566E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.75385232E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.92434588E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37204884E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.73125526E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80314345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29894519E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.88184520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53635569E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.11089914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15051418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00493488E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.98446248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53125927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29750686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.51008289E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.13496288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41848229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.59300515E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70384250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.67093060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "110": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33254315E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41589924E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79984265E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79245430E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26443215E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07977028E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35526095E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11112696E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81515762E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31972344E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29076929E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04764578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50329578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46015677E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82673311E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01574261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05483617E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71388497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82377597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59115206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51524990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04203523E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57169759E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.50574382E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99521117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20328724E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52918272E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86994832E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.90251766E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82590439E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72660471E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86537548E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.91044553E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59609860E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36919379E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48627065E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31805338E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02959628E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78053027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30900464E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14810012E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87943436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92883374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53597727E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38334820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63980578E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49634610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27534756E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81325893E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84149215E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.10008893E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.36384173E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03941689E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.42470712E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34925607E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.94280714E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82271035E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40631592E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.22912115E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.73143784E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94947650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00710469E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.09530918E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46947963E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02954652E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06534167E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40240866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.23177198E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62439207E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.39654991E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26988553E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06142996E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.27395571E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.68506385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38196370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.97793069E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.38861178E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55019791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.19294980E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86550310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.92259820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "111": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32129985E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41313127E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79173426E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79031949E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26504373E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08591303E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36137419E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15480604E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84244877E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33542060E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.37700107E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09376409E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52797262E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59735023E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90090348E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05628673E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08046938E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86189612E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90654036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64086385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79291309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20681808E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65252531E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91412153E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14855732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71361327E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70864352E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94026210E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01874223E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92796108E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.09043009E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99664131E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03922974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77635232E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43800005E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75554568E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42701799E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07554532E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98286614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40259765E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19201098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09665041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03455711E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59167038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65717326E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78661608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56768753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57714537E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88398480E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95912697E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.01907320E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.53434322E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07800186E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54400666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39351868E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.12841443E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90761753E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44754272E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.43800115E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83939580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00734834E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03804576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.26181353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56430406E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08523916E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32348453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50448884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.57434954E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71244896E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.68148977E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38867118E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11758322E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.56118854E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.83760384E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.46567359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.44198729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64072029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.68146897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.79010700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.05238710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.17706920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "112": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27628405E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40133708E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75183492E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77517500E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20408639E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06113824E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35162724E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11720022E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82791692E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32972816E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35518513E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08595607E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52608657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61051354E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91261106E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06219260E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09447393E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95888420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97041859E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68158795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.06273324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36715451E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73867578E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.34970450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29903056E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22959771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90083815E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98896980E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04256771E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01899505E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.42691288E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12091660E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08559324E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95177966E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50548547E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.02084729E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53455319E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12087285E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18211737E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49451329E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23518192E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31016949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13913337E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64685833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93074448E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93382507E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63973946E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87916658E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95385072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06608715E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93886778E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.70596694E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11676755E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66352513E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43772105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.31321294E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99192247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48838236E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64440098E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94573523E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06431961E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06838268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42477673E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65674353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14018455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.57792462E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60543325E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.94466003E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.80084798E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.96677839E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50733614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17361771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.84736975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98953279E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54900287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.90406620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89215028E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81266297E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.38615637E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.24177900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.43450830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "113": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26564207E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39866817E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74422515E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77365178E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.21158475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07295461E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36171416E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18619002E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87076767E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35459317E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49347521E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16091577E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56640294E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82892664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03205829E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12975482E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13031738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15748622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08168254E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74596207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.40649632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.56996553E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83861196E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93962268E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57722155E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51258475E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83512150E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22950772E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14195506E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38548142E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07780748E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62617690E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27813994E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70083150E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80335129E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23642488E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04722041E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34609780E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.21238577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97454758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44471995E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.28158737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55970861E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84700824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78221533E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36436593E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80752239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.63569979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23571621E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49490045E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.20016250E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.11290116E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66859908E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39220281E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08768842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.08703746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28499285E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13339353E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10374338E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.81724949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06216577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63711945E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.52644077E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33515906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10433759E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.58005214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.99541705E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49209297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.23860200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29101515E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.29840881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.79894990E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.33836896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.05824687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.02169215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.96237638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.75970910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.14831388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.42948503E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03019500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "114": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25502639E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39595194E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73540204E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77067315E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20542815E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07470753E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36535866E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21737444E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89220455E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36768679E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56867354E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20255515E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58931895E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96091240E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10483800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16908478E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15644477E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.31209060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17161143E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80024256E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73072229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76363329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93814058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.54669754E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86374137E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07521373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21291140E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28248145E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16539717E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47376142E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11041385E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74684888E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32320817E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87108090E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86846501E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.48927959E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14764942E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38726175E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.38739584E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05193815E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48004065E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45062744E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63892502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88902011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.97228497E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46826548E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85130238E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.85413909E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18861843E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09423019E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29943290E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46077358E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74711158E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63264536E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17573481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.45254444E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45092382E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21401105E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14479054E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.03368457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17718763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70024067E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87166791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.52530825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.20707128E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01493811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.29553469E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61789962E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51817250E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35864531E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.51803345E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89101027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.77131238E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.27786264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13716351E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05894354E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.09611076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.32511881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.31317463E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38837200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "115": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27716144E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40183307E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75524325E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77809769E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23967370E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09280864E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37600124E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28046699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92903043E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38838077E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68134579E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26243412E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62105900E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13470672E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.19940640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22127358E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18708746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.48872165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27179656E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85990233E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.06637472E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96566370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04003435E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01772027E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16405429E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20026752E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57013710E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34918164E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19496194E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58591482E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15223503E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90329429E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38232687E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09730225E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95623370E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.83558761E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28762007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44574490E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64103144E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16618543E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53305357E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.70867381E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76643092E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95553550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.30698171E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65188068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93992868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36628356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41153965E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02069403E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68164390E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.89160022E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84439609E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.93073054E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28492725E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.90628169E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.65712715E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31443508E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19601763E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.30468393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32158051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.77974545E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.31155755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.76967207E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34357067E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08804086E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66643181E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76404306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98283780E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42553854E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.73475164E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98163904E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.19700000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.49363423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25058281E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12049794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.42672660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49940949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01858987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79120220E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "116": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23395635E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39042308E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71663685E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76377617E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18589017E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07335338E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36970937E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26396175E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92750025E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39042228E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70288368E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27766374E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63087763E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20370801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24028714E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24257275E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20648388E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.61447606E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35432929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91090728E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.37631555E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15488955E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14108026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08035187E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47368104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32716064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90857190E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.41478101E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22444768E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69876288E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19459836E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06258118E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44274530E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32907112E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04626398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19071685E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43086834E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50538611E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89856467E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28166812E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58651064E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.96804421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89427462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02214028E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.64080707E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.83575422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02868007E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89231478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66801723E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.97707589E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02401690E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.35091124E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94803968E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.24777184E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40079648E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03866895E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.87503404E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42041207E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24999999E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58998208E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.47378902E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86358336E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.77729485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.02893584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.48933959E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16591219E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.05800523E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91490581E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.21776100E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49214833E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.95004732E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07147264E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.61846084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.70708711E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.36274420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18132991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.75382195E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67230702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10531308E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.18133820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "117": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25589660E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39622807E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73580777E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77055155E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.21438834E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08728868E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37769819E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.31102557E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95481902E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40571584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.78665037E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32284017E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65532803E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.34251093E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.31714084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28450220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23329160E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77383376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44769397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96687234E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.71913239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35865868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24658072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14580781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79419796E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45755955E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23551340E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.50079474E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25887001E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82527515E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24107592E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23497767E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50750108E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.57553472E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14132811E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.56301977E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57984955E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56686094E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16151398E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39848795E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64014961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22626489E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02034342E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08756913E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96460376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01432190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11448402E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.40561230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93186959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92968449E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34310560E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83574648E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05729720E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58130697E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52237884E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08894908E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.10258847E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53088086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30617020E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88645118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63215132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95080977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02633964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.29989718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64229268E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24755275E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46674430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07169726E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.19822830E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55874574E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.16482517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16090441E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00375884E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.91918626E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47415547E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24172009E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.07887380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84454763E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19184727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.56439300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "118": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24543434E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39342753E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72586931E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76655977E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20004310E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08342403E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37804335E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32550050E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96875536E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41569741E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84986815E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36021593E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67684236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47152669E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39087321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32521218E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25971789E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.93405284E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54206791E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02418111E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00527536E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56202638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35158724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21100065E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12227893E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59031719E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35402970E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56226785E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28729373E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93590515E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28310998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39439154E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56830707E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.80943914E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23217925E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92013696E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72283531E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62573603E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.41242740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50951511E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69104303E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47054959E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13905180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14933937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02679675E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18229819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19602479E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89384744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19468837E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.86706817E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70144270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34050542E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17092956E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.92742965E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64817876E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14081718E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.33672197E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64430103E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36373690E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.18993191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.79447993E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04023819E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07633686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.57883329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.80009817E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33179571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.88745938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23304938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78787900E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62557486E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.37987566E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25026762E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04559255E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.13069042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58520536E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30188065E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.40298978E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.01668444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27846072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.94295680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-acv3z.1.element.json b/basis_set_exchange/data/dyall/dyall-acv3z.1.element.json new file mode 100644 index 00000000..1a3dfbb7 --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-acv3z.1.element.json @@ -0,0 +1,450 @@ +{ + "molssi_bse_schema": { + "schema_type": "element", + "schema_version": "0.1" + }, + "name": "dyall-acv3z", + "description": "Dyall's augmented core-valence 3-zeta primitive basis set", + "elements": { + "1": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "2": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "3": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "4": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "5": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "6": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "7": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "8": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "9": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "10": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "11": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "12": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "13": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "14": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "15": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "16": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "17": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "18": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "19": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "20": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "21": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "22": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "23": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "24": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "25": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "26": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "27": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "28": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "29": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "30": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "31": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "32": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "33": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "34": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "35": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "36": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "37": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "38": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "39": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "40": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "41": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "42": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "43": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "44": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "45": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "46": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "47": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "48": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "49": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "50": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "51": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "52": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "53": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "54": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "55": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "56": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "72": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "73": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "74": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "75": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "76": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "77": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "78": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "79": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "80": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "81": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "82": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "83": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "84": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "85": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "86": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "87": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "88": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "104": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "105": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "106": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "107": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "108": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "109": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "110": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "111": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "112": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "113": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "114": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "115": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "116": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "117": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + }, + "118": { + "components": [ + "dyall/dyall-acv3z.1.json" + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-acv3z.1.json b/basis_set_exchange/data/dyall/dyall-acv3z.1.json new file mode 100644 index 00000000..860a92a5 --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-acv3z.1.json @@ -0,0 +1,92741 @@ +{ + "molssi_bse_schema": { + "schema_type": "component", + "schema_version": "0.1" + }, + "description": "Dyall's augmented core-valence 3-zeta primitive basis set", + "data_source": "Data from https://zenodo.org/records/7574629", + "elements": { + "1": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.01657212E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34649031E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05473364E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62453493E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80494579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00896460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91394822E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60426029E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71243724E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96180790E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23551545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93467565E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16556619E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.72511884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10724152E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "2": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40072588E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59090341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.16292739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30932047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51215959E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67601960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00126018E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84736372E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49139365E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96762513E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12853138E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43108867E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06765768E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95612906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.33588733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "3": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06973312E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54595264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02740411E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89586956E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41196495E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38684376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31505511E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39211605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29034885E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.97331831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.34381553E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55490423E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46707438E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06434589E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08478086E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99431320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67746425E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42782545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77535311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77240546E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.30116131E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22478016E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45878375E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85796104E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.87090703E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04231736E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72589792E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "4": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83205813E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.57491851E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93049738E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42828734E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76151050E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.33348080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46053217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01303767E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35324355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93804832E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71465714E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47833689E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01026182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13322544E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48671826E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09713585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.64448228E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99814660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04950925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04947150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65880377E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96137454E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92979655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.38302109E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04771923E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.71919015E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94872657E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75770038E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.66942695E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12974433E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "5": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93788253E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30256081E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91729099E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.17438240E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64585452E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49405228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68250561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51497839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52312620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92666937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34129377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40073325E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76036838E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03056262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52888838E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97655497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64212537E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13895437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82762281E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15187932E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92743428E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21335758E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96664366E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42110477E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43921928E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.35833271E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92979801E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.70177412E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.29163721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62919094E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "6": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25637995E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81272742E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03580313E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12628251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63455675E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30098662E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03486990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06663353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.87806696E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96889579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81289482E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57728142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62134214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03834234E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80845491E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04771299E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46395646E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.74747276E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78836296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09850897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.47609037E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82091560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22603733E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37407056E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10518334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03556881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05919990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.40448811E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.21638135E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29788622E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "7": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71695092E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44953145E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41696657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50480183E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83958367E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72764044E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67046428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73213278E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17083422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.20267195E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33614567E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02717148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60512780E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42291190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14772480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46219090E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43328856E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08245932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92374865E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55057907E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29000400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52351112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78127520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34953716E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89132755E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56793871E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56143189E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45843916E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02136377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.36667695E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "8": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31109552E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25648035E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.14764591E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97541170E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32914299E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25272175E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67708707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54739807E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51764440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71690551E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97334060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18562343E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74294339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86470896E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.58617071E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94301648E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55312788E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43777974E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23568979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07194422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37152324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32239815E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26399016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38889252E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.82035263E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23798726E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.43284985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17751133E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40715844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.86905176E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "9": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05576627E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24923032E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25137786E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54260776E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11301689E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87846079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10594336E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51297401E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92801206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51146147E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73474292E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51152861E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04849945E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36723371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12810867E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49295846E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82791101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84180600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.72731462E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66363529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07244326E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21897646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58072874E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49964980E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.87053785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04464288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.66404926E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02518537E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88500537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.92958603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "10": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96947614E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44443048E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17525108E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21089589E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02006148E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60686567E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38211221E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.62889087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40137989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05814807E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61947110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88234675E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52704176E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93186695E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00310413E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11489673E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26198672E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29555900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.40148544E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32657461E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33518856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21429760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92869104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89152166E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.04818445E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98165568E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12359377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20284680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47554062E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.86211790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "11": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12411711E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48138260E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11575176E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35793261E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61959305E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16853842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48747556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41535588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04056479E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68077529E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22022418E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.45495305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37672722E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01638181E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.31653097E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69635066E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66647730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10197855E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55060604E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.91840722E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22534651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20882492E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83480956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41479852E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.70193619E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37169137E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.79354668E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91848733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92778800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.48418680E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61912121E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46652179E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88802935E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.36795394E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.38236614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54959574E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34901424E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.23794995E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30056043E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.33464785E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.20690104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "12": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86922638E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40747551E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98080562E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32013324E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10055031E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42520656E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39199655E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18035656E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29536723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13567324E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90560039E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91564247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59243635E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55413972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67539997E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09706204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43688667E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65510457E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97564382E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05090031E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55223446E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73140712E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48700666E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03026007E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.24047312E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48271870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47685148E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13314800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16669594E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83267162E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93974241E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66112074E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15663648E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.79257217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.14977385E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10791979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.03864334E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06557142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28034492E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.23794995E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.32965821E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02328368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.41845761E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.58425930E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "13": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61331085E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31186418E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.76439892E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77512990E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47170610E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89046782E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.11885559E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86814317E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21953792E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41539831E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49055108E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16165181E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.67403256E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07092561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.11699442E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42262347E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12347602E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81455638E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70034423E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03998302E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35924557E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45497969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76112956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12518394E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.80517072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07472125E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.86303251E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01277072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11022663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01002471E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10636269E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87877919E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72517742E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.41228477E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25083805E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08309330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.44257920E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.69930629E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25654942E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.77036599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.68784052E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "14": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41530473E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27842169E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.65273727E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25314457E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90330646E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37345620E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90109368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57379246E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51523760E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71186777E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07892478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43205781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80409952E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61953632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17570346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52952454E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61561381E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79314281E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54257103E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30727960E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93795668E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.25086611E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42442725E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39753549E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99735430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61737833E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13832598E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99407219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50758517E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51126608E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78058409E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10146928E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.42011080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25666735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61743175E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53325537E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.23670830E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.00102549E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50135220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.21961182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09458727E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "15": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30723404E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34914798E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07248938E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77250805E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.44519213E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88995955E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07964097E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32091047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82719576E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07580104E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69682616E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71640797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01102009E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20986282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46219083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74738515E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14751786E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94037694E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36536722E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59142117E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54310170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11130593E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10893367E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67788335E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22366817E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17958502E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40517960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15448646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96730743E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.20155791E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44723029E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33740093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19117536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61538131E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22607394E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07120534E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.45370125E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.42680845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89204486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.24814897E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54616589E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "16": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31068821E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.54988506E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30311985E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34595703E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01354908E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45272873E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28508432E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12718005E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16258439E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53769447E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35767940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02044442E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30841798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84720189E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77267984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07267230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72231955E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12672292E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20386196E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87471736E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13696340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29246766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77090540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94765599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.39618076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71664457E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66216311E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.36076883E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45183674E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99840640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12511970E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59670901E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.04258778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01345238E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.03950405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67732297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00532922E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.97013550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.35159094E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.54654445E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19091396E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "17": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40636873E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.87149930E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55657222E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97349378E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19769041E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06326246E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50714473E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99586549E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52292903E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11047251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06486231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34566619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70034857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53336757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10778651E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.50704231E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34305711E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37854423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06839417E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15713735E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72030818E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46893921E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41173139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20711766E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.51214405E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22202630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89907772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55970929E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94516913E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08634057E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81500101E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88082047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.97778906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44997148E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00411042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34213688E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30062550E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16287692E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.87488526E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.10734313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.34213688E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "18": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56667124E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29804024E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83141376E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65367591E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39689020E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72221320E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74628020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.92940001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90944261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27828896E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82130329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69343388E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11938854E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27141112E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46860868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.05354406E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01192116E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65005734E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11071908E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45656966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.33026274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65209498E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07339194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47361689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06493613E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72977240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12561764E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.74705661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44540373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27909136E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65717608E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19210701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.00414150E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92807512E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22407920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06250457E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68265944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.34145959E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.47364833E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.99485367E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.09827368E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "19": { + "references": [ + "dyall2009a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70979584E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59285638E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22263806E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83397593E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46481197E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83091338E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71250139E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64371933E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10383490E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83677665E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20624552E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04111682E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05274919E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48524676E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12810253E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51016642E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70553708E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12056868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.21390260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33810977E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20407410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08176995E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02297136E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12857354E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64479759E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53330901E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85208145E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46425069E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96694702E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.96411185E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48832432E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60447892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.57563158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63397107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70328640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.09872309E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82073162E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77422040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.13683690E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18690952E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25843551E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02275849E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94815759E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59819840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.15536910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56924634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.41992101E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83454480E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.72026651E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45591447E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49672840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13400174E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.83838990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "20": { + "references": [ + "dyall2009a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24633537E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42837862E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.00751943E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29634536E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84747793E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29259803E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39456034E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30105314E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37605488E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02118720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74354211E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29314154E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26431785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07018767E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39562991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88127796E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40174368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50403325E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26763672E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36765143E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68945740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33226125E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20740520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01269248E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66328142E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18730238E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25751342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58388428E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35412235E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.49455244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14963927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90867082E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02909007E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34940922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06108027E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.98365115E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.88868809E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39840754E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20321460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27043196E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00808590E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73705919E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59329056E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96064660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.32840960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97367339E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.97722478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16309249E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25122551E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54500007E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70179250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38907420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.95815720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.48691880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.43863707E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "21": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45447409E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82136942E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91303344E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53975100E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59098442E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54409491E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31956547E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66621673E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52917975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69607626E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05317969E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44000837E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98040060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42478708E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56321259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74415691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84447242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71293970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.26954122E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80469628E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65621219E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83345359E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24910074E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.93254724E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41050190E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63613429E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.61329362E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70627419E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08756329E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74280229E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17982037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03193984E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97968369E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36835634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14814186E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61293764E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73740335E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04592373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44015183E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89251896E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81204065E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.15663262E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.70653467E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.99202020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.05339500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74691673E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.53699933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16875746E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27887870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.83821951E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65172171E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17414995E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78537449E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.45197328E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73647022E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.56760335E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.84207993E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.83909460E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "22": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72762353E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32300748E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10634454E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84791572E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.52846549E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85996046E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04761523E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11910047E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71644571E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.50666879E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41824047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61019183E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79716207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82332700E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74866163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69401662E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32841888E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94244223E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36871023E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.29893642E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08977354E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32478677E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43587229E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.29960855E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67794424E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08215829E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81010886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11221712E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24587220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42005706E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48878879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17878346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69661782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71663309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31760469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41979719E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10760198E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16284658E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.85072666E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03416009E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02658985E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15545281E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41889182E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27448013E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.22392958E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27924283E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.99812579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.27648098E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74912833E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63265865E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21844561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40747200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63941223E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.01613785E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.83850370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.25222317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.02158221E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "23": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95584820E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76905464E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21166351E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13532190E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41379976E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16079568E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15830978E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.55412899E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89713594E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29339259E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77501696E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77772871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.60695704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22138282E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93465769E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.64862019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81647846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17422583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04694822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79289448E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20590184E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77555229E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60722434E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70662196E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97917644E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57648787E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01184487E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55190281E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41625098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.14558781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81869200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33522967E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.45871962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08572256E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49640435E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26506454E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49137031E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27833592E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24496899E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16608224E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24901056E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37270489E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06303942E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52221188E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.28078566E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75849341E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21954483E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.25350849E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15843824E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.16813754E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.66552865E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.65587127E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21852717E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.63713985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43236226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.19043852E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.02483041E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "24": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23722214E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30322385E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33715295E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47578027E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04552789E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51159501E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28638411E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05433598E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10386443E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.18979484E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17991468E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96701639E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51682025E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66534901E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14102942E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07019215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34888299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42049718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16329541E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30805738E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31924422E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21860481E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77480355E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12540611E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31772578E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12398785E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15479981E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02788701E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59951488E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92236071E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17071694E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50178036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26823058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47657993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68494920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.15083842E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89008038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39407960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63084528E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29182057E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46264607E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58607501E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.69480172E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76449487E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.31584809E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22721194E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43324988E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.19533238E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54849078E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.61006770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06454301E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.02407452E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72712177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.03969696E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81720280E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.49342542E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.85507624E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "25": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40822628E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68665059E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43317123E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74463790E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12935387E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79835589E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39243458E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47276433E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27830227E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.95219252E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52696670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13074973E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03141556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06228110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32952349E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16756228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85133651E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65918944E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27593658E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81427725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43108302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.63451933E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93067637E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51893419E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69702271E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72928121E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31074421E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54230499E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79629268E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.75246441E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54563063E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67874362E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.12651139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88985546E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88362446E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07953117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30504984E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51065134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01100222E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41277178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66831997E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80163196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.33217964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00846081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.35884857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69908810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64752820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.13343983E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93334661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10151349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.45077115E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.20034194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.24318783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.45251458E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20292522E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.81531812E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.73114838E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "26": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65104363E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18786587E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55591169E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08643739E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23579719E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16116009E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52585746E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99617655E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49524251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08947152E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95334305E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33040295E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12758740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53304615E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54859654E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27948333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41766282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92075903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39866101E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35533250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54381067E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.06043670E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08896826E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.92304545E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12118421E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.39799601E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48076924E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09794220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00744729E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63895351E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94461240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86659529E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.03556039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32649576E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09293167E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00538481E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73757219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62856134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.38760048E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52994557E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.86476974E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02219425E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.98343248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25736942E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.42338924E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.18032277E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86534411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.08187360E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.31931010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24089509E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.82437441E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.49627044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77682937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.91200390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.60133069E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.15294608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.65024467E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "27": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82208420E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.60689663E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66556157E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40045266E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33492420E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50240882E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65252510E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49736454E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70447802E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18087479E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36842904E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52536934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22187448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99779196E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76719203E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39162442E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98935242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18724669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52371795E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90892247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65899197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48969406E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24642912E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.32551231E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59453363E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13605026E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66600602E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69761164E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23382073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.58468781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36872923E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06576162E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99719354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78728981E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31316779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10744066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18748049E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74786653E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.76104080E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64373645E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.05303782E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24929513E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.65297567E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51294715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05166101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67412190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08822889E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04794544E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.70969286E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38050186E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19504685E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.80743454E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.33463515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14352792E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.01676166E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.51620257E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.63803944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "28": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09417454E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.15423112E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79983714E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77470371E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45128984E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89825079E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79771162E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.06473127E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93857560E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28212016E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82455518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73820181E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32415198E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49845610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00096535E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51095766E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59353474E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46552824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65392148E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48253345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77577209E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91899313E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40256008E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.72540705E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12190993E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94990484E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86766622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34433298E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47633882E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05929234E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81923359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27674802E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10135094E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27315103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54478781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21436253E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65600768E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86895927E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.13293631E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75481037E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23432049E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.48391727E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.34357337E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77626216E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16429265E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18245777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31711702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00360891E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10650744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52114902E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56610386E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.13384571E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.92057615E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30336632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.45236760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.92463832E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.74680642E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "29": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17836883E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47963329E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89703427E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07242257E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54918932E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24357127E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92770015E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.58342379E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15656545E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37795134E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26241548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94505481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42469346E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99623580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23612341E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63159981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20815728E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75100972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78750651E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07220205E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89582353E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35577026E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55957396E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01250113E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70798341E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.84614925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08701673E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04103966E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73578742E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16660415E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29694339E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49988133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20860387E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78498450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78821543E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32629877E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.14347547E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99182991E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50327929E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86331229E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.40770461E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72681961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.05733091E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04811922E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28056495E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.70680231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55270735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10495806E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51119083E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66339036E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.94103779E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.63351158E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.50612052E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45696848E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.85526824E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.42224313E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.05555984E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "30": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39435425E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99808344E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03487339E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47424182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67782093E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69008377E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09406092E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.24208227E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43119918E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49765056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80432517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19847238E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54645939E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59114037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51719909E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77583427E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94120643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10274932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95823890E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.88071260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05027372E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96124991E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81012871E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08377005E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44385455E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96245884E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35714451E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89174535E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05078035E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29636716E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87347840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76896978E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33827563E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.40959874E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08816213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46400045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.73631515E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12917749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.90937835E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97825650E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66493416E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17340924E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.36732102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.55293077E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49917368E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.72204198E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03683220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33336105E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.55414758E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09361233E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.21899577E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.83197700E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.36242615E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71948900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.64703612E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.03365893E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.09012380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "31": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55445959E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53805914E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19617901E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97356169E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84366401E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28039247E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31796696E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14019784E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80916474E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66331442E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.55624758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55009317E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71490540E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.40892083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91430040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98206909E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.99972969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64904841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24139583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03349674E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70644104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22830759E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23471170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73301970E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.08808822E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44309931E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65650470E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19291003E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53605376E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90707869E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.60219479E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06184271E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98041541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.77666289E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66475578E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16284487E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62156734E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06986778E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11755278E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99871898E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05737780E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92523211E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15654755E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.40247675E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87021090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.47094152E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.89826857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76032088E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.66908542E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14030786E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08908959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35917750E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.53690930E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.10609080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.29394340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.17685060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.48329310E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.73593850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "32": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75343445E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02023082E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39819004E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.61845733E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06356833E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.07305542E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61881785E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03382598E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30984371E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88246484E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.55288416E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01557329E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93598891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46758326E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43298975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24480986E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13104017E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30652312E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57590746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20096394E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44413215E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59544469E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79702298E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47836180E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07773854E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69205977E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22981657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36598719E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15827086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15833398E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.70507356E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57599349E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23033382E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10288618E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27537145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46478757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11484652E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75937004E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42823716E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23725801E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68397030E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45122340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30971213E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.98968707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.12546986E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.66244163E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47315611E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03779022E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.94903250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90445404E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38367632E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.68835960E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.71519130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49719050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.66656260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.15897290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06878200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.48492330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "33": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84037754E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04741635E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48021737E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.86570276E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14335233E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35442200E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72727398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07892387E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50695885E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97163634E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.97096621E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22025658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04068671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00200794E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72249319E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40440526E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21993854E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81855903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85054141E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35308984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22412844E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95986625E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35217158E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12841610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25921678E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95770521E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.83336399E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54573419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.79762466E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41444066E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08218676E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09372511E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48073813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22761324E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88544562E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76954531E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27234366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53033238E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76018660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52968218E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24395270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.24946231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54139147E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.87896006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51450329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14965785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37984525E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49289704E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12673049E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78844260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73973970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25591910E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.94483660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.90802910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22852480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.79380230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40405330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.27408280E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "34": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91257405E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08552012E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61077716E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30096950E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29512815E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91241162E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94328145E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16654357E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87830978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13558305E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.72184945E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.57532086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21313616E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08741085E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15373572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62925493E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33734473E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44316383E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17617127E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52559166E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06373017E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35390677E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00275324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77239600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44232694E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22428505E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43169807E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72167334E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41701325E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66053736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18875922E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58471891E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71705069E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34466258E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.45923055E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05885736E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42500468E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32247165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10016659E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.85965836E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78480230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.99466247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75672026E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.70179219E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87377103E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31862905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.21101127E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90745782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33269967E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74576990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.12553180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.99181470E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12276080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.33897250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50752950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.62749660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88064920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.10287110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "35": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15532200E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14812366E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79022382E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.85300079E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47851458E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.56472677E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19006342E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26519798E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29302905E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31783155E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05532345E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96619290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40148562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17991277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61745704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86921977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46201787E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10371231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51941039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70755420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95273831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76751762E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17878343E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40655380E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62032129E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48207234E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00386082E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88786464E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.99612387E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88874390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28688356E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.03364193E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93184357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45023649E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97509644E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32036019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56522324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10870265E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44061786E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.20998554E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.31367050E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.78600736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98442380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56941673E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25242088E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49677211E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.08866174E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34689761E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55224006E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.77301296E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53829111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.92830140E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25650340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.79044340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.79715170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.61019350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.60473320E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.97130620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "36": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17991323E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17633306E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89878976E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.23363353E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61516067E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.07657147E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39150797E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34834584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65094954E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47770238E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12920507E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31866563E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57438888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26649609E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05799044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09998310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58358314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75114559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86196588E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89263435E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88241566E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19462923E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36130944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14731660E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79252643E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73044757E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.54946010E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04447512E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53632486E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09979671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37692414E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44218662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12578540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54446498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43056540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55041350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68783305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86733279E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77532298E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05671028E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94297730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.61271060E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22127617E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.46930426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64474259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68131637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.99833116E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80352489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78113476E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.84543548E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96354748E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23340160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39583200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.26275930E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09744120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.74331150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.60760270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.87951440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "37": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08767232E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83371171E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18347777E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62874001E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58642951E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05499075E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03135053E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30729427E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42545267E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.39369988E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97082409E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42407022E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01511850E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54004530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82344036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.52282397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87014426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58793768E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37806594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99803200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67443344E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91288086E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29378663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03569873E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88410026E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70047420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76439080E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89943874E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01896362E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33062703E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81779748E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66060143E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29430683E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85631990E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37338110E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51645406E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41072625E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11946882E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41413833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69585869E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35485131E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.83574530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45397456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73752459E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.17333391E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72813018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65446097E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.51815390E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36553789E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93866375E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.98776019E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68626962E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45065186E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17222527E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58380415E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.89820275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23604465E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59392728E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.00075065E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.01623134E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99203874E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.40111233E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.76509439E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36639330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.43202372E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42341944E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54186010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.76050800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.13612248E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.95268640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.83284100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "38": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.26818774E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93389725E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61837344E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80350379E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29267831E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34628991E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26830327E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84858404E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66995286E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53303961E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51698704E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69279425E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.37083181E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23994238E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19183724E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14698926E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83858288E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11458074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66434325E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61012132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51896303E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35365202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08128826E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49446470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64687364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30234500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23524259E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68625194E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78092267E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17289623E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.61401273E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.80589089E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53828331E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.52410055E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59439007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35525531E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76177253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27773118E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16757439E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07052085E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54469033E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.90871380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06644462E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09840565E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02995272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94556182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33586520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28758348E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69974893E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60536749E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46811493E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64614044E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.71488437E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78633889E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.77953698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.65413423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80392165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.09551307E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59619753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30127783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10308753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59122541E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75087430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.68010638E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.10893002E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.69433630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.28251710E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.56145306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64628200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22699972E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.78455987E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.08302320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "39": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43512088E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01722594E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99876484E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96410954E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95741170E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62176475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04393466E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36307122E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90358422E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62642841E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04320047E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95201691E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.66807895E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89617820E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52648315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31716661E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69113704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56930851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90767701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.97363639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18773089E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70078664E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25681387E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46061267E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11633975E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.07281519E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50106792E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10399420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.27297485E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40608328E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.94368033E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77875807E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17377730E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80655136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15150456E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09206909E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42549780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86648635E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41538248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72092932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81245276E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53338641E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34584416E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15966851E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61795988E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66255173E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53703844E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14874117E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77366098E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82772740E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52810453E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38369680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66181548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.22286587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38199457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66119505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.29183202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.14141669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02271969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.06638979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81152694E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52033281E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.61996761E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78938255E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.85358520E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.83037570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11534430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98128970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.34356880E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.11452300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.18725380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.98465900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.61553000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "40": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41913036E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01961442E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01923777E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97382525E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.00801456E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64868269E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05785673E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43304941E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93797505E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79467206E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12673613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99497598E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.90117836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02877801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60405961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36370107E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.97803346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74041157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01030682E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05880331E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55744188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92544032E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39549746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18479454E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48296652E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04756548E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05773642E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32140536E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.57585252E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27496342E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.19159130E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04110973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87561805E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03330436E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99478042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43932198E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57989471E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.59322894E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77228871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90219280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.75195592E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02487300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60993012E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30273782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34720069E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00632478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07105157E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56921369E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91991897E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94941164E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.64333519E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.70169718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78002413E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.73282584E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.62162010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78020947E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.90076960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46389304E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19642932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.96447971E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31951484E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78369564E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.79901154E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30737419E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.01880610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.40037390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25470950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.73951700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73882860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.79609530E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29560930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.12817430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.04272500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "41": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30767525E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00104183E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98814705E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96971653E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.00780182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65151028E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05936238E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43771861E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93872529E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79256882E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12370810E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99321611E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89750313E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03361828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61232463E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37268878E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.04786621E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78372507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03604260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06855208E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69265584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02816657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45575066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41153959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54293603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.81041128E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79281562E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21201747E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.19232326E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09001198E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03607226E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28531763E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52149984E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23921398E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.75121154E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74751737E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71557231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22567032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07975585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05605013E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05399819E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44003972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83566379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42558496E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97381825E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30336506E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16647495E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90147042E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03587350E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.10708517E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57687774E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51473934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70954700E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.41335166E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.46446207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69558350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.42052768E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19974229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05263858E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.33490109E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02048782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63342997E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.12639417E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98415615E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19030750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.99390460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01820860E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.91833210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.72777400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.40819230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.33556320E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.77852100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "42": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.18593067E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99699637E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05526774E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01462746E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23841742E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76063138E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10994167E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.67302668E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05007645E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.33124218E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39001238E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12706196E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05780714E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38299679E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79325745E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46674080E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52482955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04021302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17464560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14337867E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11645850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27041272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59303796E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.09571039E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86493465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06707947E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10470125E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32696610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46577189E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13851361E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18709071E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60089746E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.35231022E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50218302E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.71143141E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13732017E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88698607E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02591794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46977280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25238609E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15277331E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.94498091E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09951147E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56553846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66467667E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62105632E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26317930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23241359E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14744982E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27587735E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70566193E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.86935649E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84119157E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.98119496E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.73102973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82769311E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.09288136E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54976916E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23439895E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03519349E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54213168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87647397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12932516E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25740995E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.36733420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.60730680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22376520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.58162020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19387330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.52472710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.90566690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.30188900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "43": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33028930E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06262239E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35714186E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14608662E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80962351E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01006658E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22079543E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17605640E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28373479E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04399326E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92577508E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39037067E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18929570E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04883678E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13404169E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64167382E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43183703E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52926728E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44103200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29549498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89111323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69119618E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82681782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36864259E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53996401E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37415440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32676785E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81322390E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61441028E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.42548166E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37256242E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98728678E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36543338E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82196481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08769718E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60966449E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09426687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99226419E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94031666E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48959911E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27038246E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53816241E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40762880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72076108E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.40856730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95430692E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36016700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.55583764E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25219701E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43955470E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03741054E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77957239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17864368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.44732572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.42563878E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17887084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09360564E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.53665838E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77280582E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31884351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.99181372E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58207470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01956168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.45810091E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54999860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.24098840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45234530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.43195220E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47731730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.64526980E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.58696320E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.86232110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "44": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.17858316E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03366447E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29674310E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13441297E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79886144E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01443954E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22416412E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19751238E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29776946E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05222850E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96862058E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41133341E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20003645E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11144722E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17398756E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66766932E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58485227E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61520538E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48671659E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31277302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.06188622E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80066287E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87889104E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51526064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52319203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22319135E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.66997501E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53337817E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96388898E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04758390E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52407113E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30134723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.17927213E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07469640E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17833842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97182981E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25119516E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07147064E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28772055E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66155173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35712811E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.99187749E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64999923E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85124813E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.05363718E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25210332E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44336257E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82788313E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34125463E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.57710603E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98609744E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63586077E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.12459562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.20082450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30306295E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11135636E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05397318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.30540561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62484758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24458045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.59221072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36138481E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.12490555E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75803865E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.73925980E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.89943430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64059730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.94623200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64874400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.77011810E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.00670730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.35569110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "45": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.21003901E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05962006E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44610005E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20547899E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11533474E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15382542E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28692816E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.48079939E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42641166E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11250488E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26538253E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56423476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28081802E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53997949E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39988830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78515822E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16359229E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92166951E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64840342E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39721850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52756116E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06122152E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02608623E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02366296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86011047E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29673881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93318562E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62896757E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.19629902E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18290311E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71954400E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70655659E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02266956E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39856123E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29403366E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43283222E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45064056E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16331210E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72983091E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88144099E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46612950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.54937684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94260773E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00254525E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78321661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58030420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53197599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.11357424E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43126879E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71825903E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13858801E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.04979049E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27696915E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.85486218E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.60954511E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26341294E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13170176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71305720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.83610097E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35475842E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13480226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60946883E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01406408E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99945528E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.93421650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.57826450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86028500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.66866020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88955400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.89899270E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17513210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.91710720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "46": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11571378E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04156824E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40980911E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19982441E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11550176E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16023497E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29167561E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50874547E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44161884E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12038431E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30442147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58254112E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28892265E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57572815E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41803663E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79751444E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25139679E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.97949543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68662653E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41643975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.72834288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20396541E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12647100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07338486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.11162053E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36130435E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13211689E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70269194E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.38295694E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28847344E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87212859E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02103887E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10306125E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64355987E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38026853E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.77175033E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59536869E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22902680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04189480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03358317E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54334659E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.96096618E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16389070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12494390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03962413E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86749908E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60876306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35760958E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50853813E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83724171E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08586264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.90268263E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22161766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.60245280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.48502139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19514292E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09314442E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.49253600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.68664583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26393957E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.60097245E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30332690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.60887284E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91308789E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.13737510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02888430E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97981370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.85290660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95096900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.03312740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.33002570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.43341940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "47": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13686102E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06092636E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52580240E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25845582E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39904851E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29353792E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35413925E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80450716E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58420713E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19034262E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65258027E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75748414E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37754396E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02947689E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.65338908E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92070834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.90113422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33067749E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87668282E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52068008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30198766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52029976E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28580744E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15233290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47118690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43343513E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38640955E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79165402E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59989230E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49071527E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16591750E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63029191E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25969588E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12303826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54981797E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44190760E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88359970E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36135235E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.67769267E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35045670E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69714178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72926322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56005706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31876443E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12947874E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25472128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70689381E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66435941E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60013998E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.98242425E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46826769E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.93808672E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60261025E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12488450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.26169761E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58675689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29711217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58318425E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.28888782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58762927E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.26906522E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12428867E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22366870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.47961492E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.34445970E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10117360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37680450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.58521000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.52840340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.17032740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.62875810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.42919330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "48": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.89071917E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00899377E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40330953E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23026019E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.34248649E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28767707E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35760229E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83941241E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60632150E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20271592E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72012830E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79541933E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39977454E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16361970E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73557333E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97172651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02175520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52086545E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99117193E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58782437E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.75154371E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80825980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49714461E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27246742E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18835547E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82516466E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99072098E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43895456E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05939485E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69140839E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45979997E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24037706E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41589189E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59727855E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71601136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09360664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16194338E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48832589E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.28426575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65089870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84343579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.46581972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94042835E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50552204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21631949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63120729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80059568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.95515015E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68575922E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.17941775E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84652381E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.95224686E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97358227E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28441382E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01300907E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96467964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49449578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64081796E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.87222530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90266310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.91299749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94585758E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59146030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.52546428E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.55786590E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17576370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.62069000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.39673500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79891200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.31185380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.78753410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.95844700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "49": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.88285108E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01322180E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44319731E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25305646E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45791027E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34289156E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38370938E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96330036E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66599861E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23197689E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86611244E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86966766E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43848567E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37122965E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85011377E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03678183E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05919921E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73915158E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11997725E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66317520E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24803137E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12394788E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71488961E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39886979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95707144E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27003236E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03070733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47969655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55271770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01267710E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.52883982E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60155878E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20058700E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29911106E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.61064689E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82802263E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89139916E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63625555E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75951911E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82062597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53208370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33618738E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20350914E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27461084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12494860E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52201368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.03356107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45233343E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.37972784E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48547075E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.70088390E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.53599087E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49981056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.51929048E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37010093E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11525514E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.55864522E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87852136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51563641E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.08391902E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28620339E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21331674E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10382616E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.30206236E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39763470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.86616184E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84751790E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.02133570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00487780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.81789580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.66497420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.21985050E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.04007130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "50": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74534403E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99067942E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.42651511E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26767650E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58724261E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41934390E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42421167E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.16871088E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76879156E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28355618E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12815896E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00493669E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50942383E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74886852E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05407833E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14824953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12075676E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08743786E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31890244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77951378E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.93225188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53108388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96897898E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54241230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80222349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74016006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26412099E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53500260E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10766160E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61980376E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.50526578E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81275782E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74666186E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46099329E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15260775E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03062504E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72200721E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00272550E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93106728E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.65908914E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95791320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55941371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31828770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88259247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44761101E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69239648E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93855133E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85023748E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13935931E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36767301E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46871620E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25274119E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68298402E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.17043940E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64357763E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24314710E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.19714288E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.21431431E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69744422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.09025481E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.85305289E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53095738E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27898151E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25394670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88425001E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09938726E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84853130E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.39106200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15637110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.27041910E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.48626760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.74859370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.29281090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "51": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75339381E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00285955E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.51340658E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31641818E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83930931E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54360602E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48496438E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46579639E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91512222E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35642277E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49617816E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19380445E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60799487E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.27184660E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33547136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30085051E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20490009E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.55880977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58553371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93639956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08012259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03108721E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25514803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70084983E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.70895719E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23290363E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50488113E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.61020954E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56761330E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26309595E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.54604330E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03869693E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.33132624E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63403286E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72969244E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24533694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.59834078E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38783846E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11074464E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05356011E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40269005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79252628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43818063E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.52036006E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78988192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87515067E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92972699E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34499004E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36544503E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30225540E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90555940E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.05315649E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88616736E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88872161E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.94388368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38310455E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.89443168E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.58037631E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89580022E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01889566E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.47370762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88147982E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47385029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.31984484E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43297470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34929640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00018480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77151210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31217890E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.85180770E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.89884920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10724290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.55220940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "52": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.47672242E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94066595E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35544412E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27817855E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76531836E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54056208E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49337516E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53773421E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96154542E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38385471E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65224478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28106906E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65649405E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.54164467E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48638503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38595708E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25284678E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.83304446E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74325905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02660117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13678715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.37321695E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46361798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82700904E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49667574E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73421082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74432211E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.69852295E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01076150E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.85083154E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05425035E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25968945E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.91042343E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80644604E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.30505497E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45894053E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04675826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76888349E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28817507E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13999369E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.84042140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02114726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55580857E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.14782844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12736661E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05614029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.92575451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86304109E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59850872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26035604E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31940790E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.72841693E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05595772E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.48464255E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.19176371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49807061E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46548988E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.87895755E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05693190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10790207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.97227758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16027853E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62949691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.17853066E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.88493090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58544670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.27474420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.16446420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47294370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04949990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.43785420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.44409900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.81868980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "53": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61756518E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98499834E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53957214E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35962458E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.13522194E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70734024E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56935233E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89053926E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12885404E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46488985E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05395149E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48460929E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76151822E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09201527E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77869334E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54278618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33857601E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31570569E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01877937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18928389E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22824521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90064889E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76855245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99745852E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04772815E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26461992E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00283038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89786351E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50021620E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53102094E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16626810E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50450395E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.54458986E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99322399E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92087351E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68460786E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13747028E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.16210199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46939828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22749162E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27994973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24873708E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67236049E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.76792968E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45890514E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23380612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09114802E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39293154E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83607745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.24033576E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72372490E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.62797082E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28130470E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.27325330E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.51901205E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64968565E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21833666E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.27290877E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27033664E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22606013E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.64007859E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.53920694E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84184721E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34887528E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.49337100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86444650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.69633670E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.57120940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63913590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21693500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.05977000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97173940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.09261160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "54": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48423264E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95885756E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.50058918E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36607377E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24863019E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78820775E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61704848E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.15003854E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26552168E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53569844E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41759707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67129605E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85801382E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.59489204E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04269972E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68199832E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41151661E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70954371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23373885E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30914483E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29810095E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.32385894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03606176E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15735140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14324160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84124790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27819260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01342458E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06924070E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.10131557E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26524380E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72618852E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12720009E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16623676E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.49333216E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89448485E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22174491E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52689742E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63727568E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30846524E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.68611444E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45840034E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78019021E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.34468903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76710191E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40022684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18493691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.92315492E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07474884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.23332857E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19852190E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.56806256E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51543754E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.08866259E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85620914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80551164E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.99140065E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67714973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.48946885E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34747076E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.32692316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92993904E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06167169E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05656103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12785410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15222000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.44000200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.99356540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81159540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38446680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.76723630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.69216750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.37429050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "55": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46013948E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95239765E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47858799E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35926991E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23772617E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79241253E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62263856E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18883181E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28814095E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54847766E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49162288E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71451522E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88270827E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.73175836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.11681588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72262572E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43399077E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83643947E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30251793E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33386940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32602505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51049587E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18003562E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28157856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23685235E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91374788E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98268826E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44830456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.43981270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27743147E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87929476E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06102307E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23589691E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10396530E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43948696E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11897001E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16628433E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47606100E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.52122855E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27232141E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37396752E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.18824831E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94301580E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45673921E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43534104E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85708541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00630763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06932858E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.62603379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89349722E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46565095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60214345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05354627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35767010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97423139E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54583510E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60300028E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.58971303E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37006059E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.76506422E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80894082E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.60020316E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81731735E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31874292E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.55132951E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37809717E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.77679042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.47615462E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00701034E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57833310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30242508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.29345754E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79382752E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04582820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38502110E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28899455E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.43668860E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.99304060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.63575043E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.10966020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.66665530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "56": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28086965E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89790764E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.25586977E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25800485E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.74618158E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55153677E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50409573E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60417226E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99760198E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40222266E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74287504E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32477599E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67709698E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63638149E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52943559E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40932382E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26816951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88200023E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74183377E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95118184E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10344180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08256192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18054891E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68813429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83867704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20291415E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06335810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86002370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84048861E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09846152E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53305840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60318570E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.97190043E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59658232E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47800159E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.12160846E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76219279E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.47007346E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61907028E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51254788E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78578031E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21745021E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58915454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.10054941E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20788440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20721993E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18944851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.37282594E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34027771E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73499305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36826016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09661813E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94824110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23590520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35388561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45643843E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48087621E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.51767149E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99851226E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.26579395E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09447914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44739556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.19015565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.71283436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95671159E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04718100E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56405651E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88634175E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47287376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.23682363E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.33032812E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29802090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.69569954E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26218177E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.90063720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18316630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.51074070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53761100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.38639360E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79294551E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.96824520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "72": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47387190E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72158300E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88759957E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23692904E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25793831E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03155111E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83018986E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.56085251E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11052469E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01870177E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01220109E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17157224E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68786995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41891787E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59590969E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11484202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22485262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22723073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80317008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66243221E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09940142E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17604417E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26099040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33692332E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55564497E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.19965847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98603844E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23617130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89567436E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67729126E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00142247E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07433271E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89981095E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.22089317E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51961389E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.69676642E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.58693776E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.50562232E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79542451E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63048935E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.44580981E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56724576E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77453292E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.08782228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72919814E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53705409E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35825489E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.08017987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62483170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71640682E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.21486362E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75706116E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37243308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63671743E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21488058E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81434910E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.72524233E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52891276E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04082521E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.79652460E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75071735E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.58216251E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.35209497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25729362E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15980782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.80172020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79991459E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22507431E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91171836E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81605533E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.10065659E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79752871E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.14435448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41220015E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.97547640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.75700059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33686492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.49941524E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.08799631E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39458851E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.72547744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70220258E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.06070230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.30857290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.90470030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.98476058E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.87378800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.39548360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "73": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46340897E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71911950E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88216787E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23756519E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.28526975E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05868804E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85067044E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69478039E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.19167039E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06553889E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03852534E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31719519E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76752410E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46211665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83105255E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24626950E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30092608E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27326477E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08337179E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82295904E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19742190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23446251E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.58291202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52577272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66419669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83973533E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.31697699E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38987593E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.48509651E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90242612E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04340859E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16396697E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11790871E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.80417061E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69031577E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.23615580E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76908002E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01610704E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04748978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73418067E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89980606E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77698524E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87562423E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.59593609E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99143275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67713172E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43441029E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.48174751E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83983890E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83004522E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82113985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04284599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46662789E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.95254291E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32307321E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.77009432E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03124245E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67222756E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.52884868E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.99482921E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84037805E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.01824421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.57395123E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37394629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22167235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.12640703E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97150404E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30997466E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43707380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08705756E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.24452895E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24141863E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.79781620E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63620422E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.94584107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.22554049E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.57856089E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.79373118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77892969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75135480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.36943084E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20915474E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.62244430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.41593650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.29050610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.11928633E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.23484990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.08425050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "74": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41018810E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70489853E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83172802E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21674430E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.19067252E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01635627E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83347184E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63415862E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17500855E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06388903E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04104107E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34910785E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79598694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48390359E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.97876636E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33738585E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35243925E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30186961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.25024908E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94137929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26968708E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27882613E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.83884335E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68337589E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75976731E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.38336790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60600973E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52587336E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98528887E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09430068E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08975288E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24544773E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32854740E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03831690E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86258639E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78650783E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95631043E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08377599E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30814488E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84138849E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36873085E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99336748E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97979850E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01183828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25965396E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81957226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51139595E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.88574213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05650421E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94352021E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.41911766E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32086298E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55320744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23521199E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41814578E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81558266E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09440668E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82590536E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00506052E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20641404E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93596219E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.48318785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.81079983E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49883902E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28835587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.47991139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16168325E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40832492E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.98056754E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.35135087E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.33820662E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61741825E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.38338168E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83656052E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.80869452E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64309995E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.79326205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.94381629E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.39438207E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07200822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.89768088E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74587115E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.47390320E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.52461890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.68265670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.41552147E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.67125850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.78739520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "75": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35989718E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69194013E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79498858E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21052705E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.22640450E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06411159E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87016706E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.87685669E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32560748E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15308862E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09303061E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64950603E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96549833E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57645826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47487261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60492333E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50001235E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38500901E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71304453E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18022714E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41233390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36216426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24621484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91034367E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87808960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00649849E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94407902E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65778728E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48909768E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28513445E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13994487E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32614724E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54223770E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09782849E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04117876E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36034385E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15224712E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15470738E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58126104E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95352193E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85802903E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21860206E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08798095E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06594548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53659266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96601090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59010198E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29969813E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27886258E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05882521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00172240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59438851E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63359634E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.49077440E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50175901E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87842672E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16164850E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.98897975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06024970E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.42962247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03658556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97171379E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.05928203E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62976468E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35829694E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.85124977E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.36256728E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51388549E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.53697107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61385847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.41051909E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96245126E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.95193446E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03070277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.64178247E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.04690209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00073032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00564871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.99110583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38362025E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03678508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.28336572E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03979990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.63471830E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.08130750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.73365348E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.13246190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.05042770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "76": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.27257269E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66927915E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71679959E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17813966E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.07191080E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98939869E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83478815E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.70361249E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23711398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10760757E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06894071E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51580509E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89152476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53796302E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28856331E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52005327E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46990980E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37506195E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70496599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21605555E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43826749E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38210059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41986285E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04009529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97882878E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05700550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.21154994E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77568447E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91576003E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44900771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18512564E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39734780E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74559720E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15631962E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22010891E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.94253296E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35270374E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22763581E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86268125E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06911502E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36222180E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45052337E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19927405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12165441E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82394657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11914998E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67328653E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.73361436E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.51294839E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18307259E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06553469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.88568590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72513914E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.77999023E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59125352E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.96445694E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22945038E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.15283727E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11550040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.65242515E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13684795E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04579982E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.30670407E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76026356E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42818138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.22394460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.56592290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62200984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.09505431E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87447219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04746313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29277733E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.49326891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21493483E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.42927397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.42803266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19601762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11016202E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.55197385E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67846358E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17912467E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.81290373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.23296840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.74635820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.48681960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.03113771E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.59700730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.12347180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "77": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26557070E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66799660E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71455573E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17849771E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.08259290E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99782342E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84025972E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.74176091E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26566156E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12815094E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08306261E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60832544E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94932441E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57299248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.49903454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64635475E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54559286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41952066E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96745323E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38085683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53906014E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44301622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.76860402E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25156806E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10232188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12441609E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54664820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89433942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35966387E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61515649E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23132646E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48528268E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97869821E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22172119E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41766894E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05803433E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57111011E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30672506E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.16635447E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19315193E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.90010707E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69659438E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31678328E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18017066E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.12372161E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27752726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75850063E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.17824141E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.75262779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30848545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12927921E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17361591E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81009789E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04237184E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67125639E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04320190E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30076028E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32472136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17328227E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.88476841E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24112930E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09624763E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56278835E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89510340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50030823E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.60835220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77609459E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73446034E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.66615746E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13736839E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15376445E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.60978412E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.01737751E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.39283326E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01882436E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.79525186E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38412853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21080600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.09289243E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.96414114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31820351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.33544605E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42588700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.85962820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.89938410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.32313128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.06628930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.19787600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "78": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23420892E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65899440E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68116212E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16484183E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02504897E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97530860E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83323908E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72993169E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27067310E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13512541E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08831873E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64294132E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97163388E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58715347E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58678103E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70062704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58419336E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44521405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13902372E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48666004E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60540936E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48571344E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.01886656E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.41202599E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20284608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17470525E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80381761E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00629250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76560267E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77078534E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27552443E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56816279E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.20810428E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28741914E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61867997E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12348863E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79653781E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38862603E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48115986E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32167481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04567665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95087586E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43802442E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24045191E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.43245977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44043695E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84606294E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.63428838E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99885830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43707997E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19413604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46504578E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89449186E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29907816E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74782345E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.12318142E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37262779E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49719416E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23101317E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.11612320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34473881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14629999E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.81679073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02888445E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57194762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.99126375E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98671881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84805425E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.23896247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.40065701E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26055379E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92319147E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.53390681E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.56761361E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09322089E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.15465796E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.56806054E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30913817E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.62207100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.24480990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45574803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.85551654E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61951390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.97461660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.31925320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.06377326E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.54812010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.27365350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "79": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20722185E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65203591E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65791538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15623033E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99306481E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96414959E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83059018E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73616208E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28555453E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14864996E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09813562E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70796184E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01343252E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61404252E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76047503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81220084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65695654E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49025873E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41074448E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65028217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70322634E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54290092E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33768986E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60569283E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32465197E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23675190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11377850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12094928E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.19014878E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92996891E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32102832E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65072863E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44146920E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35503096E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82714630E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19172564E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03235178E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47444090E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81092180E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45606146E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10373337E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21538265E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56384824E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30289570E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.75225361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.60892673E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93652205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01043048E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25279113E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56950900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26038793E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76109469E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97865855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55119224E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82141897E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.20176656E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44781015E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67716021E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29106678E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.35609420E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45192758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19794849E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.07825792E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16631231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64540819E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.38347565E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20264263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96488353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.82342970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66732051E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36810745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.23160470E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.04603731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74042218E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16667491E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.50923691E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74952889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40612577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.14450483E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52275993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59267636E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.37589250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81456950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.09140030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.74667040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.20070770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.05284810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.35082280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "80": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12469008E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63000198E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58135711E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12640907E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86684811E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90779773E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80369752E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59773549E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21024785E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10667513E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07455838E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.57522121E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93833272E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57096876E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50730159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65857114E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58020082E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45133810E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.23885044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61241165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68797286E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54467071E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.42550174E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69598090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41595084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28093959E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38447244E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24481117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65966421E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11919795E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38463618E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72039001E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66150036E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42173815E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03843590E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26214315E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27883259E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56495125E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16080146E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59916366E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16569241E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49810622E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69851209E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36974621E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09420476E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78828185E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03243813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06003768E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51996470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70842935E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32946819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.06782224E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06510308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80716257E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89365113E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.94572739E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56799497E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.96521969E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38730221E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74157103E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62484917E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28173466E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.50548228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39286102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76854909E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04625288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56392220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16373781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.86526299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17692814E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58951527E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91651287E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.70518113E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.96276315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26111670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.96664184E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98407780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53224830E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.82669725E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.88627997E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77363778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.12091882E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.11236180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.21003780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.18177320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.36258277E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.70234600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.42940060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "81": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08065886E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61819739E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54011652E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11035998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80336594E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88482357E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79728915E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59295390E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22230583E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12016222E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08528266E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65073069E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98842819E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60331928E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71523927E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79269345E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66890167E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50914461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.60893478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85695076E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84941168E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64950587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99556157E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04580944E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63070922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40669517E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10350554E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60605843E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16832538E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01391846E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50548720E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42753717E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14041033E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30688276E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04933497E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57357790E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29209962E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.93242075E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98386651E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.40802025E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75210542E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75737824E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.59182412E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.35233370E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27084287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20836151E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.46569645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54604117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93651311E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02935156E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47511333E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75810139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37743354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.43505311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35622566E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85719824E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24958305E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.76647740E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03881897E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46725832E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54761056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03554117E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.69737280E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28853172E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17228804E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.18961286E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34166896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80401385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.55801447E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.01774026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53510172E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23332218E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.69796609E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46388080E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.99285125E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64348470E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.39007663E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.19312209E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35882918E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.43981621E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.22692107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.66305546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.53817185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.27104494E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97350016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.08022357E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.52629430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.97511750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.85253850E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.51887060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "82": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03798479E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60690745E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50158015E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09541152E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73747986E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85240024E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78043163E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50480279E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17656436E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09673002E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07363806E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59612309E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96529042E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59507762E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69510257E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79292554E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67978643E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51962899E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69502226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92454742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89250027E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68005206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23723643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22327683E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77804722E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49086619E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65783736E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97829937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36025214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89616920E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02344240E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48876065E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16821975E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41127699E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08859283E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72414988E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35125079E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17028736E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08204042E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82465553E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93487429E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84103284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99380189E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55452747E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37621095E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26467890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.77241843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71724457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03301293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08287874E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78253851E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93572621E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47773217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.01333423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63794096E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04471072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.97592513E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23675650E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29356064E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.06417412E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74121675E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11092616E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.02922099E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44704323E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25285235E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.61554572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57496541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93406179E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02760058E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42011456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76252810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35839970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.38064514E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81842020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06118956E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22035920E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00520285E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.41495533E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45275798E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.89365180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.45975469E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78845449E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.22196908E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.64266605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16866137E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.02167191E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.60408710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53085016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.77664160E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.67461000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "83": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03119892E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60514899E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49460224E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09217826E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72286077E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84554484E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77691456E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48420218E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16392597E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08885196E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06852884E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56164908E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94187439E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57928191E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58800210E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71603844E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63672055E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49608973E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58643392E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93302357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90841122E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70043921E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45188226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39079397E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92544119E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57671776E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22623938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36549072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55529714E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79945828E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45161840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57163117E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20200125E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.53385085E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13288565E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88809084E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41393227E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41758767E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18252541E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.24851014E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12276827E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92853126E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.41674992E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76445132E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48295911E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32043796E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.07329278E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88439565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12684889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13562105E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.08939127E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11500618E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58092243E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.62751069E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99503627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21713018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71368957E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62026540E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.60564710E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.79426902E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97738965E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20263396E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43209485E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63926977E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35047079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.13190618E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85781649E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09198210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11516104E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.91228033E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04303186E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51355417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.22430784E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25039533E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26579892E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32978720E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07030290E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.63238800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54467335E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.33683554E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.68697240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91071064E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88941892E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.00681763E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.36158202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.95517091E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.67301970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.78625800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06023570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.83062260E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "84": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04132058E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60781395E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50296684E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09487767E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73598814E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85568070E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78562706E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.54972388E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20812353E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11623560E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08446488E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64931617E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98767414E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60218822E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69844819E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76533840E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65861795E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50451696E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61199521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96704287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92099898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70811312E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.56814016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.48420451E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02567504E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63701424E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.66086655E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73699821E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74012749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.67323249E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81143630E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70483094E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25428734E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72157602E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20167538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14740809E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51433022E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81666935E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34651738E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.94478784E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42681812E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06558607E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00588033E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07734618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64074877E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40231877E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50681654E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11869237E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25585038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20443832E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.46951983E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32581203E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69891908E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.30278160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38402297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39823852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47226927E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97645340E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94476700E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.58557164E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23232873E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30121862E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.86354416E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84457341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45444577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68140169E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15825297E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25967572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20861528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.43980393E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34518237E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68154993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.14193870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.72050658E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48634616E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.59814250E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13495050E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.84763958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63553758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.77420903E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.91113585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03125894E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05482774E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.36738054E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.55387945E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88738949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.21912863E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35539190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.98756630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "85": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03482564E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60621874E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49836954E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09388542E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73977311E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86231251E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79228388E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.60618208E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25144821E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14664496E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10454999E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77583526E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06466756E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64794396E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96629450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92144919E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74964998E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55808898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93225315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14038576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02064999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76300850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.92098026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70496630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17982594E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72804337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.22656942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13080993E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93665037E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59565072E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17280060E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.80820295E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29759559E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88229312E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26152758E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.37471764E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60307011E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.17330592E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49335845E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05659290E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69918962E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18969792E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06453783E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.36400181E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78500036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47694036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.90307293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33302353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37341985E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26737102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81901609E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51776239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80703762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92798270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76241232E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57474650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.22057178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31266600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30243632E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04185084E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49974095E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40424481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.31289497E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05788923E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56221370E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25040579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46867205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43279458E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30548231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.98796665E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.65962865E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85695263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.10450738E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21483577E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71535619E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.74340720E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19973926E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.06254277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.72608505E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.20928786E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.13405247E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15110240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12039677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.72709106E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74673093E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08233409E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.72950677E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.82391640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.14591080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "86": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84798489E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55661447E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32787165E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02832277E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46297726E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73833194E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73395901E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32206424E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10893642E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07335353E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06600587E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56967131E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95281483E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58620869E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61735059E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70952776E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62643649E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48209526E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.44019334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90578503E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85826415E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64592887E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.43696688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42043507E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07806857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68144512E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.00631872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35448673E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06144330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.27636781E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58061240E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77708571E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30667777E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94562797E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29131783E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.50325792E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65743754E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.40364278E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59205726E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09965430E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89189488E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27873625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10714451E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.57491838E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89263780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53336179E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.20609431E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.49955347E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46562537E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31769463E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10603253E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67730712E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89843313E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.46659718E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11732737E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74318443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.95136360E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70607150E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67507519E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12841311E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77649334E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51038247E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.77379248E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.27595657E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67204077E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.82948435E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78401338E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60866844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40437654E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.54960079E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98257799E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03796235E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01041437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.73001501E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95078075E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.12296950E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26483434E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.27823687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81692888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.64528882E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.35732024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27103637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18603298E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.08776747E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.94090639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17660739E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.31008520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.45439800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.30604820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "87": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84196158E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55489550E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32052997E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02463280E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.44514761E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73024103E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73063388E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30943141E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10470458E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07234456E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06624138E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.57596093E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95949290E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59211136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.66647585E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74626472E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65685980E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50639792E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63135729E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04487758E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95248801E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70665602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88867584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.74936667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40996084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89469745E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04681411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33574655E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72443061E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35952190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30440000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95071293E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14641119E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11329999E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43524266E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.91216192E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36496714E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16654993E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37525890E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82822160E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78632351E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92795002E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81096909E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19362332E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30832703E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47003764E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19844186E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.02692163E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12357243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65512337E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89694352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90855952E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72188201E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48396883E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16682727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39962249E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33315518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20395993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63616073E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62575587E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18122871E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47761560E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36812410E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52390997E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23487907E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20215631E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18182539E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24611481E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15247688E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65436553E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.39821035E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57135609E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82080645E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.61576628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.21264869E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84920445E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54160560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.33391609E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.43818447E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29598719E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15583880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.55490414E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44408603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.86904540E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00829277E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47220776E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31948775E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.45835513E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89257078E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.00659061E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.54248602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37114913E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24246133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.42061937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.14407465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27780943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.99564783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81280960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.47114600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "88": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80565570E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54524704E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28705247E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01159919E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39348648E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71281160E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72944470E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.36497948E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17673584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13502834E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11189842E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88090825E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15917077E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72294310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51443107E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29721346E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00187725E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72510500E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00277953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86476426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51299858E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09488964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19638314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.11440168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21057962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34582823E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31510348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77422309E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61549960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86223187E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47483700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23951224E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56556662E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70079540E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00564657E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41078956E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.35017805E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44751581E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11458884E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90182872E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40364943E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01125681E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28002327E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69223184E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64671585E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28291666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44582958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33762712E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76771530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.48098978E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.19333028E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85329696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53238118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31968300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38897906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30318048E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17321581E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01525933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97087111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47749661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00679983E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77053641E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24964369E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98663843E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.73211611E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37211900E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54949200E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80458301E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.04257989E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.87334073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97153465E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04071526E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.64127047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08907736E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67890972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.11756466E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.89199077E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55374053E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30158105E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.38505218E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92330385E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09463920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56605274E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22407157E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38629006E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.67836732E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98496918E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.44903607E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.76903467E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49302970E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30959204E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.79505201E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.35161155E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38210100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.68426794E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12848990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.75932963E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.90391359E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.63971880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "104": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43339482E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44542257E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92783051E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86157265E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70303447E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37210606E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55238304E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.40277733E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63810752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82919868E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.38443797E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89935844E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60032647E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40182542E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65258901E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.29205393E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47448016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47817993E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41831865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07167575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79557620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22873222E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36628940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.27030324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75217932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70240318E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40890629E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.57692036E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91452982E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45524295E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73341156E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04757109E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29724263E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99526789E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95722838E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.69005282E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41496393E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10363015E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56129967E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43974565E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00348062E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.58141004E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14623566E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.26685118E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50735731E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23489428E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27082146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26952714E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74430448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.56520074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.34738584E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98748688E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69639321E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62048229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32144456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85304913E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43794521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10381214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35122020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36221556E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41655070E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10976844E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10075421E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56254223E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63375148E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15652514E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.39951042E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89152438E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87053951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.42728436E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31487359E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24875608E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.89908976E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84237544E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13025894E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18906146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.52695937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.45888811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74357819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.84117000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32025608E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31131946E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.77935814E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23372249E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89294807E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.29735510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.65332558E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25272597E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.30109575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.26958925E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.72120081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.03305849E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.60870045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25608948E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04370725E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.44667814E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54737747E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.30170310E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.59310920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.91994760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.73934680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.38568880E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.90271520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "105": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.40728852E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43844828E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90342084E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85183226E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66081454E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35261228E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54328700E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36212097E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62246752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82506544E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.38636424E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.91029792E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60942888E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40786423E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.68279220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30840883E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48224724E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48260196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31594181E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.06386968E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87192153E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24809527E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37652007E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33514117E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80674381E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75370492E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43394999E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79105391E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06880244E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61264135E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39060019E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33953996E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41088425E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.05749681E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99668836E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87291743E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49521180E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.45075144E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71148850E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50512143E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29068771E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70896450E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20363093E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52951351E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63028098E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29398936E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56303937E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41839437E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82262318E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.98828665E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58580576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12372824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77459345E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00786175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58330612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00144278E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52268388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.57781843E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58067590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44601802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72195883E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21217882E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51187905E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65386246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84109970E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21996884E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.62968310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98593198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.29574876E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.63255258E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41969027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30444320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.20599299E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.01486855E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22681972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24474335E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.84932839E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64214160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84917574E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.43541319E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67591123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49585460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.59984349E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71942749E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15079441E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.13573384E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00221658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42048975E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.16468991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.74351293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98593646E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05561971E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.49316177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.75141357E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30708739E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.68487393E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89553000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.33993180E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.96674980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.08478220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.48274720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.16486580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.16995090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "106": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37015508E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42862476E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86971296E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83902830E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61193141E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33581566E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54060578E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39351117E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67221519E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87233467E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.76219019E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18531173E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80473092E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54650412E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71339680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05200678E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00985878E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82754267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09697741E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74317711E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08892500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36653796E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44602381E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72908632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98996626E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83102239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49786978E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08993644E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21912852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75867785E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.01715178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61857986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52052824E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10829795E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03325099E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04902863E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57421454E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.79767014E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86327182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57175754E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58537775E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84051334E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26304767E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.80212072E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75805666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35547342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86725827E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57340510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90389142E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04221598E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82679032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.25925377E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85156754E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05296572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83771666E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14538753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60317400E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.02501365E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79416514E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52212785E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.98676265E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29701555E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28905019E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75181013E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06305161E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28774806E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.87510627E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08639824E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.74761613E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.85057732E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53101246E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36359541E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.53180605E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19770366E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.32897576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30359054E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.18978824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83600365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96144417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.07961982E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03481958E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67356314E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.37350323E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08726899E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.35440516E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.79319454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.27478709E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55092014E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.83425739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.10988587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19042230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17318986E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.17742092E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.13531785E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51280755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.67468778E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23435531E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.25213350E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.34030880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.24973520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.28037710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.38929850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.43875960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "107": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36872902E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42811840E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86605883E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83622803E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59351143E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32474527E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53415223E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35333654E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64576553E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85579856E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.67819741E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.16023880E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81291978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56655260E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91132504E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17373067E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06352626E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84944998E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15732127E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22388752E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40772245E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50374395E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52643219E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14262214E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23480146E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97264953E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55993640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41166892E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36077369E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88745592E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59103837E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88087935E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62955554E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.19248649E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07982421E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.25795973E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66478908E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01876890E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03180388E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64512552E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.90788619E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98382479E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32753124E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09688395E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89565197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42137542E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19168594E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73782311E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98974808E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08785039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07955197E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40081892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93170999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09952704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09926887E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29272410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68544740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47433877E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00582341E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59697016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23683478E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37303511E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17539052E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85077164E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28714110E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35610367E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12222569E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18736181E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02006516E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.06863079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64205986E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42248407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.85540502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.37891084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43027750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36198606E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.52815906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02927918E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07405902E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.73219523E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38884727E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84590721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.11874627E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41024155E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54320043E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.39986411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52566820E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67055722E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.44754123E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.44469073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37724964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28056645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.80189342E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.48613058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70216723E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.60118968E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.57443342E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.04397480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.71507690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.41536500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.11364280E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.59778900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.70939440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "108": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34404034E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42148893E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84236314E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82646808E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.54973182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30390780E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52365155E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.29582964E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61170428E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83440821E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53399927E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05504650E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73503867E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51305864E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58623155E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03073774E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03275693E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86735548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15872834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24188595E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44306039E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54061305E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55227309E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.28378505E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37610095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08251825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65086240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96586450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66961764E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02891717E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23119688E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16481022E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74792054E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25254367E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11942715E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.44649094E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74929720E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05596960E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19509363E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71704905E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22691476E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12658558E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39210383E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.39312205E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03424605E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48783970E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.51912283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90378781E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07648226E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13413182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33621412E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54442354E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01273212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14649093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.36265296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44202126E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76929877E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92588987E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21545305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66848750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.46716262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43988343E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.10450397E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95200461E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51596202E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42571806E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37309975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28953107E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06577951E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.28820699E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75368585E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48160007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.17963096E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56011813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53155044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42033502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.86601159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22250428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18701772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03904030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.74044302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01542124E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.84852668E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.70957059E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72563730E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.98368357E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.76657984E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78511399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.03425808E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.76440471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.55565695E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38304049E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.39676664E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.82067555E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88382132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.50003364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.91587655E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.01747770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.09207020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.58208670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.97184500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.84681960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.98210410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "109": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31891733E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41454656E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81607692E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81482325E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49179108E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27207976E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50514813E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.19293225E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56311483E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81750343E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.50513217E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06938643E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75511549E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52432007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.57460963E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95728059E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98049525E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86955244E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13665743E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03189745E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32026814E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46378911E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51132999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31091146E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37276901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10243454E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73794551E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.58617732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06106018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16423936E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.82542950E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42890695E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87061717E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31371678E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16000842E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.64074475E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83674676E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09462250E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36556083E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79251953E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.56322211E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27760106E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46054569E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.70716086E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18091886E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55797995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.86369016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07802906E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16730375E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18248595E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60419051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69470017E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09752257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19567527E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.63769920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59773135E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85614162E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.38764899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42851270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74146223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.69512862E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50276988E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06136092E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05704993E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.75331407E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49765522E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63042634E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39342782E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11186831E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.50778740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86447033E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53990408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.49767856E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.73720336E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63050328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47736622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.19692412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.41220866E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29841360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10438868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.08669045E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18175539E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.56518438E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99250068E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.90565305E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.55746045E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00277651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89707715E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.60682211E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.07565016E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72922762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.48262377E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.97370273E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.14555212E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.06116894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.38508567E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.25915495E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.92862770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.47200340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.75019800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.85499040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.08829130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.25710390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "110": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34187440E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42072304E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83705299E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82243492E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52340844E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28713088E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51343205E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23670133E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58048610E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81916816E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46320177E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01975999E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71165870E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49136587E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35008337E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79088731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81522009E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69804567E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12397757E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.45352698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71605917E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71017917E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66347701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91337612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.74628855E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28607033E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77399509E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55254319E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89940448E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23289256E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02177679E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64522004E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98062980E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41883056E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21374996E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.87796938E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93943547E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13901407E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55828469E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87673483E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93446576E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44294075E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53505429E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04779977E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33958813E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63360284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.23321488E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26347505E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26313981E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23309953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88250051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84948328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18416499E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24567385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.91594967E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75520316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94350834E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.84749985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63913310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81244131E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.91092335E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55981532E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02765939E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15699518E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.97865775E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56614243E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.87723503E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49382207E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15666719E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72228148E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97309783E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59722780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.81064178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91141587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72788205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53345110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.52184020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59893348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40846087E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16939590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42973782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34638491E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.27361831E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26574630E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.08430866E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01250762E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.23602108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00738788E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01704543E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.38148797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.89971334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.58032416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.53858639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.46404390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23584171E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02627147E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.60448112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08577830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.85554490E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.91997520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.77044600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.34069250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.53465440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "111": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29536080E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40827098E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79330180E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80489940E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.44598289E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25110442E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49660020E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16160894E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55257872E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81434228E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51727944E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10816105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80378778E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57379766E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.03797861E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25973907E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09463534E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84777005E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18449002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.67022794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85353685E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90026608E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78961671E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07237547E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.24619916E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60249420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97223256E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07695145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60675514E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47111768E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12196733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04188023E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14047100E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.45323700E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24620699E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.04854786E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02017251E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17589897E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72476024E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95167691E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27269583E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59637998E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60516724E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.37157277E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49152923E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70649966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.59200506E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44491571E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35764320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28347399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16145081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00570890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27198008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29629681E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19876783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91632414E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03395752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03205937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.85533795E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88474453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12539393E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61387842E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00685335E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26367516E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.21907228E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63892901E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13760211E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59883605E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20313141E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.94294658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08400849E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65538892E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.12658148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.08667641E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82567944E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58969074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.84722320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78559688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51821970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23428946E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77030831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50949978E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97632043E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.53163517E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.25997699E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06812669E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.46410186E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.11508393E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07208098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.67983865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.06614891E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67582114E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.09196591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.77743980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40878684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11374688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.95235725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19464490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.24309250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.09157760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.73225560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.63942360E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.81487530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "112": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28389212E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40521807E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78180836E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79948430E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41886022E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23823867E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49197681E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.15543894E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56108459E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82523194E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.61243470E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18125511E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85477532E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60672189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26857498E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50415392E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36757664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10314095E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31656549E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20063162E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.00791740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90296683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78393463E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08011189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23563614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59463200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97855145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07147041E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51185273E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52949835E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15935551E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25697150E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31320980E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52229832E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28950204E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.25561721E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11409123E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21781106E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.91121742E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03480680E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.64516614E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76433472E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68150313E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72224217E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65513678E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78446385E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.97283543E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63598487E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45630365E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33548904E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.44586477E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16274035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35940387E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34629367E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.47661555E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07452434E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12232559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07791448E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06380962E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95321250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.32264038E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66155757E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98613341E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36670187E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.45083633E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70890942E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.38733622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.69943034E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24764497E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15471515E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.19072065E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71149871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.43183159E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.25615717E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92047727E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64429163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.16358297E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.96826487E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62632050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29862479E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.10799317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67149237E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06753088E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81917205E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.44007924E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12499017E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.69679883E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.22451893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12780880E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.98100587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23377361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77154130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.64214729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.08792571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58030520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20082206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.30218881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30576120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.63512530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.26520630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.76734530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.96449580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.09798200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "113": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27159881E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40170345E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76778279E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79291600E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.38362503E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21609054E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47575178E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03008499E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46355861E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75040258E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04151431E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75155764E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53569280E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37307481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53407402E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20525560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37971882E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33997226E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83762095E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58141239E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61382130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53690922E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.01634950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03290864E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60471895E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47729786E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64021574E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18793274E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44927938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20374421E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18367500E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.99229360E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57573476E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.63528874E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75225900E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50983078E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24796520E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64954343E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14928246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09507122E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30970836E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07244246E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11250011E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50664341E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26359688E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53959609E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.46068271E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86375064E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02563592E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.67265709E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11799672E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75607157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.61375858E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18261559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70000696E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35903335E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31026021E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48336714E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85455071E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99758777E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47611030E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49459133E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.73867961E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79593724E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.69820078E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82465111E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30302626E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.41786842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32315562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78108202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.81035833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46614915E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03734871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71131806E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.54996715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18568536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74758765E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36393206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.36450687E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.68694583E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.18405462E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12147460E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40451400E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.92266206E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.32140168E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56372504E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.86342925E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.08510540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16226344E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14209456E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.87910766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.92251539E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35071410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.05357521E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77051730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10788550E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.10279190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "114": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26015314E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39854891E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75565477E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78732629E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35602078E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20184992E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46843637E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99306704E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44598878E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74302720E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.01905638E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75120557E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54265333E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38097138E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.60599474E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26022245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41897784E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37016296E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02769780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70339850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68880837E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58309151E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.32490334E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22420788E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71780975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54915471E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.10039972E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47906300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60728013E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82641022E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62192660E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04686148E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61308592E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.82493471E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84237369E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55166858E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44049664E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73790984E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18988128E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28215677E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39630291E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11278479E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30242840E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59749659E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30793737E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.76092928E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57394374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92323957E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05747577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.84618254E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21365018E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81044858E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.91700346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.35338565E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79434538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41336789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61935067E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60399813E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96204817E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55595335E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.22274860E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57040334E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.90778208E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84637448E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.87553608E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89496189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33359826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.56070468E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39372378E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81741871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00034727E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.57127474E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09586726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74425561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.73473056E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.29280001E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81196786E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40463207E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63145174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86560315E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.86662349E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81442700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54209325E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.36181318E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.50212610E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64916395E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.29821377E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.31890173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29136879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21498675E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.29107092E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.15249841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47579818E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.69645516E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.85333690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.55390240E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.20334580E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "115": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24889988E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39543714E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74358069E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78166804E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.32722458E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18633822E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45993048E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.94599762E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42022640E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72910096E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94571063E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71426100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52535697E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37351665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.58243148E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25652182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42332461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37789001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07284289E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73171230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72987594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61036538E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53793956E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37576966E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81508265E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60876272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50489539E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77207800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76056297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.45114508E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96488010E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.11415673E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65859504E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00556461E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95207538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60272459E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.67645003E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84683742E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24029049E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51648777E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50587001E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16438916E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54794083E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71605544E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36632600E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.05508081E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72597479E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00386560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10085887E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.08535137E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34604235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88629989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03532548E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60290994E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93876662E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49606870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10349443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87230274E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13586668E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14924363E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24052910E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65009693E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.08930872E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90177994E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.07387721E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97477279E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36875066E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.72683772E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.47670328E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86061290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02356352E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.69897818E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16742822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78505096E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.96749831E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42827413E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89258948E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45494095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.95747515E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07845519E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10493343E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62623680E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67532062E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.78563363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67616373E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73125757E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.71530985E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.54292446E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.41497123E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28473613E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.68598503E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37378558E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59718550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.32105148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.86933590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01052670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.30282950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "116": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23782829E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39236248E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73158960E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77602240E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.29846329E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17086776E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45141631E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89804744E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39304996E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71371877E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85940622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66541385E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49715509E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35689957E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49487751E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21010082E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39974251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37103272E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02454373E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69871838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73603846E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61330884E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.56659604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43202011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85690773E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63046845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.70770654E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02632239E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89553537E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02275885E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26281170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.18846193E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70887639E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03118856E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07465431E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66011896E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94315573E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97055460E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29776005E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78418008E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63102504E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22321973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82689639E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85020292E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43208994E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38471488E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89540685E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09317097E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14851360E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34628599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48887032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96730471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08150612E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.86527652E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08968066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58217743E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.60788432E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16166945E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27759257E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73994779E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53022270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88618616E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.61867039E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06123777E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64191493E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20284932E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46936690E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.20425758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.71701405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98719159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09269598E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.08408842E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38207846E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90949786E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06964629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84421118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13077416E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58741635E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68994389E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.45463665E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26581305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68617240E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.80612263E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.20053669E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.84620369E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81129166E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.12133221E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.76074492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53506837E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35248785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.07012125E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.58966038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71638381E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.93496557E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.06775240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24118720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.40186230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "117": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25920449E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39787655E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74867098E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78121512E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31363865E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17401995E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45112450E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88759041E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38327961E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70606893E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80429257E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.62950620E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47664248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34663116E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46247261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21381399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41778720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40569710E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31793185E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93955561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87468979E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70749829E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00522684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72688489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02029726E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73636192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.32921938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38926567E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07779317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.77632229E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54284640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.28934205E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76496041E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05792477E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19810247E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71661308E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.20133863E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08881295E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35218727E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.03617722E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74843203E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27827320E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.08722594E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97492401E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49292818E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.68792029E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05031963E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17433245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19168866E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58178806E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61829562E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04080421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12342402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10370292E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22627225E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66150905E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08020682E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44252638E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41372447E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.31481958E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79837230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12045231E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.14672651E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22105255E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21254990E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43227294E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57064533E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68500744E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95885837E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11451384E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16204078E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46979498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59849316E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03515140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14335465E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.26602894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37292288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72336847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.44325586E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83551412E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41794524E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.35421900E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.93563347E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.60999230E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.01369025E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88998406E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.52015467E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.97451126E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.65287068E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41893035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.44719463E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.80207016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83426979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.54241563E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.43336790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.68494580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.50085240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "118": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24829947E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39484494E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73684339E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77563958E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28534875E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15892600E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44297065E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84292906E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35890318E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69284482E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73226428E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58831482E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45180201E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33079064E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36318594E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14574957E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36983112E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37043730E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03160527E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69580410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78607743E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65135652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.78413265E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63395830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00757843E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70887779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.17009847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54459568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17125866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.20262300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85753680E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.35325333E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80944775E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08103957E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31021192E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76971547E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45064127E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20544916E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40668494E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29079454E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86757613E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33424951E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35218988E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10186595E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55477667E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99548803E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20694480E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25603267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23495363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81682191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74685165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11337803E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16445616E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33507489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35723395E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73775679E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.53233524E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71461208E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54480807E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87591573E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11351130E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37637694E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.72323690E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39530250E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83344108E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68119517E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68017334E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.20333430E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21876374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25102266E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23613283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88142235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83084288E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17005480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22247587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.71995940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63412468E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87141360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.27211076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.26175850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60438079E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.77708090E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.06489942E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00176725E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.18016911E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.96805885E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.91536067E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.18610418E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.76938856E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.48461775E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.82011240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.01242935E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95144031E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.14623710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89891090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.28736030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60011630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-acv4z.1.element.json b/basis_set_exchange/data/dyall/dyall-acv4z.1.element.json new file mode 100644 index 00000000..25e68ae0 --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-acv4z.1.element.json @@ -0,0 +1,450 @@ +{ + "molssi_bse_schema": { + "schema_type": "element", + "schema_version": "0.1" + }, + "name": "dyall-acv4z", + "description": "Dyall's augmented core-valence 4-zeta primitive basis set", + "elements": { + "1": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "2": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "3": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "4": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "5": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "6": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "7": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "8": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "9": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "10": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "11": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "12": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "13": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "14": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "15": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "16": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "17": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "18": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "19": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "20": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "21": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "22": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "23": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "24": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "25": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "26": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "27": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "28": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "29": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "30": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "31": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "32": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "33": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "34": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "35": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "36": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "37": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "38": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "39": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "40": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "41": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "42": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "43": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "44": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "45": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "46": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "47": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "48": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "49": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "50": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "51": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "52": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "53": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "54": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "55": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "56": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "72": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "73": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "74": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "75": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "76": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "77": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "78": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "79": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "80": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "81": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "82": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "83": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "84": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "85": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "86": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "87": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "88": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "104": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "105": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "106": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "107": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "108": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "109": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "110": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "111": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "112": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "113": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "114": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "115": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "116": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "117": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + }, + "118": { + "components": [ + "dyall/dyall-acv4z.1.json" + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-acv4z.1.json b/basis_set_exchange/data/dyall/dyall-acv4z.1.json new file mode 100644 index 00000000..998e1526 --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-acv4z.1.json @@ -0,0 +1,118289 @@ +{ + "molssi_bse_schema": { + "schema_type": "component", + "schema_version": "0.1" + }, + "description": "Dyall's augmented core-valence 4-zeta primitive basis set", + "data_source": "Data from https://zenodo.org/records/7574629", + "elements": { + "1": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.29410792E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20952722E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37359117E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80348626E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21810233E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32951635E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66557370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82099274E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93685011E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31152966E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89277250E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79956932E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47030934E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92601346E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14026390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44996399E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70913732E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59764174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44846445E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06034002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.14466631E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "2": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.62391395E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43456284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25522457E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.19962178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99531480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07885465E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18149637E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69909998E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08089586E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00340814E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27163555E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.55680995E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25523565E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75378224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41950551E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63323856E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32782104E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16419965E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66775379E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.68495795E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.96282008E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "3": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02620924E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00216610E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82441496E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93772327E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.34724363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30242831E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02607500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76314466E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64890261E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51150713E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51808159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68069754E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.15050038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91800255E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16708232E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19863265E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68248114E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44097081E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73116489E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34230367E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97429533E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57540731E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89923834E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75836213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.68205983E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68848934E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16877207E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41143589E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61293523E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26902613E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44720538E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04114144E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96344231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.17431693E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73685930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58055556E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11007926E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.65630176E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.44471203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.34012231E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.94979212E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "4": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81236023E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.05482945E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74441011E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76366176E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50836569E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31555968E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03365963E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30420060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57401677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60416933E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.43414730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53276299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71482427E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32460168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15247113E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18909658E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51071595E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01994549E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27052370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23647563E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16307349E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74157405E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81946204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26613377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30144943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53363164E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47698185E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13617123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28208601E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43754077E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.32282824E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00894161E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.70204672E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95528245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.70483711E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.64789363E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78482656E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.45949584E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21947584E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.41414564E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.77918377E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.44911267E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.81496257E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.02897899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.66036429E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "5": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56072387E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07166186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36847494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.59103521E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12590094E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61584435E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95427652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22051893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30749252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40605463E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12712665E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42574602E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67396455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32316932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54225866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57775620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18712909E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44384317E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05813504E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95538684E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60198960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48258236E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52070355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22648436E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.60233816E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32053028E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97221154E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.04348027E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06776999E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22203416E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16794808E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04321412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97271011E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84044416E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42913684E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.37149848E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.93492230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.23442122E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.60219107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14943623E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.69308844E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.75825838E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "6": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26268487E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74102250E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77618328E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03585910E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30323200E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17250655E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51364407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85292100E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.01669725E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62052485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69163336E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12780068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99859083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97704309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48640354E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91971299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78931125E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08400011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19245583E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96739252E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94271220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23141066E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.32416976E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38203166E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46735388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.59318241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97908003E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33893159E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85889413E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06012586E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61104371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32268850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71847043E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.27755698E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25243609E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.06455777E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.82463356E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30323947E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.45546349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47196467E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.84486214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.91350122E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "7": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95972410E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63056820E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60179251E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51628054E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78777893E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68623836E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44956202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63305439E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13351501E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09613531E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37238710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13682901E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58093751E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75561050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19893791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51424479E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50092884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11673224E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38271659E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16480306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69044493E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10755074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16030141E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73548469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06082734E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.24118820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14302025E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83471522E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.86226308E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.91237655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.32535679E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82020518E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.68067932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.53742571E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34244982E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05890310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.88242061E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84938429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.12719664E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13284646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.36664075E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.44465221E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "8": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82110194E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70802358E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.78252693E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08499989E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53030648E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28475263E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69158390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53281438E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51560748E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79636443E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15825334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51161224E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41252254E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.65639590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60311717E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35223345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31917485E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46867134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65659777E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56556652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28743045E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11855656E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53816912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29534915E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74383290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22777515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46974669E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39427019E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00895329E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81825895E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.31116920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39701166E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84112015E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34475982E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.64969282E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54463167E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.10774197E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54114713E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.36302879E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.10694347E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.82371624E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.31600423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "9": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92989578E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07414309E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04991421E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78240051E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.64295029E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00459236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13715020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60226924E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96701021E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79209496E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07524249E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94676696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53016962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69380633E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06704175E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45688519E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25166909E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86632476E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01872274E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19437728E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65337612E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27421047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96900393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07164123E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51998340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57165089E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96432022E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01942633E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25472021E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78502845E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05660810E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05231911E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.17582586E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79379981E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15447821E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07972205E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.49937707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.38825162E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12227610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.48423006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.35511778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.49060905E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "10": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23235171E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66705732E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36393713E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58269175E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10534651E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82235448E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44058430E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81026720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47607527E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10399273E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10670602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43548280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19040176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85449618E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58554259E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18045354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28945797E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30669403E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.70885130E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.06824311E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06908062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57907421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45395500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00674062E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39008145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95593331E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62704459E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71023085E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52357572E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99658053E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31123264E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78537342E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.66783552E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29530804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.83707779E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.80017811E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.07740867E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.42542506E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49301485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.47205827E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.95807958E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.23115921E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "11": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34346485E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04845356E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17887484E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59701263E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85076947E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65471915E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.16653694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46467076E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04252868E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.62206362E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13229121E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01720084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99001210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50700757E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28253461E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.58105506E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17972129E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54625055E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49671871E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58289717E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66568880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74378679E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21082437E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64314843E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49370006E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61937950E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69443651E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76705653E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18596745E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42278785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82238897E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.03267762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67036139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68581545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66755747E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38279701E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83941405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00019127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53783723E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17159879E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05454779E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02175940E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56468854E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56882093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.29169375E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20046609E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12370706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84493095E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31560035E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.41887396E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78250392E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.92486864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.97038162E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03417288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.35084841E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.30593565E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.09105916E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.12290222E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.81838645E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "12": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35066558E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50833262E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24126686E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39481998E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.27285420E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47844524E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.22210839E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67895560E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55370766E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88160618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17271474E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51308126E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.42309250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72979057E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90942491E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.81284448E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76894306E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38220782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18180608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79289051E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34606523E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93274023E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05880693E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17299767E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48900810E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.08299837E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70660667E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85511108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82134503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.76099376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78550969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23129797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68310540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65961289E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24316856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.70032114E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50916595E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16027227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53485119E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.29702126E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94843899E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.77999084E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86972903E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.44577448E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24019006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32664645E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55717309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.39168364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.50872921E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41719937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04087796E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.42390143E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18229542E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.72043432E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.69353583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.91205128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64757579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.82366042E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.05746962E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.40931133E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.28876681E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.07048307E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.23864231E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "13": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12228873E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.74446770E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19350635E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10634794E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.44078490E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21498729E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19495547E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76098314E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00755578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.87669181E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08670697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94741042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55290823E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80131604E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45945315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26681170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26736410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18276645E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60837367E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07843666E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26463023E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69727204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13328412E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83113354E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39807418E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.87876942E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.17737267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51393572E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27759266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81467328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68656925E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.81729455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69397636E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75418419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.24109385E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37203071E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51203602E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.98916466E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19299553E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.47193370E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47629461E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.47056729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06517185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.81970684E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66918250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97951281E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.98372237E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62619439E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02513776E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.63508348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.23475289E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19416693E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83361732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.09054245E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.84130597E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.57773149E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.63854018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.46779829E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "14": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85467489E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99085388E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47412421E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85796237E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17474719E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.00328743E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48825536E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93019864E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50076720E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10572281E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09020704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42550033E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18982444E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97979441E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06347112E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58091260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.93367342E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06176718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07436018E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05670859E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61555303E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34629060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12288527E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26093123E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09383447E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65198419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15527414E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50044713E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28186100E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25257635E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31969297E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07793637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13198453E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46543428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18068603E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22196124E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31364388E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96677407E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18722126E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49602268E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80627419E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.74070763E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58794436E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33200572E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.85578592E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82256465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14328827E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.99380015E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28389074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.58840330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51816042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.02312223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88700108E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.77919788E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.45614854E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.94340326E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.46635512E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.81823834E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "15": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52293110E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28322623E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78008817E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69940013E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43632843E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89924934E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82064427E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24780062E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05309768E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34845366E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20028262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95080128E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44593849E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26159230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71991785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92347118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.76504231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01977779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58297034E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32888828E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.06565916E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05022554E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46017284E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.81945679E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76483264E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.21914685E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44333722E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32619195E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57439586E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.42919808E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83457603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31728648E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.28739455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03857319E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46830159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56336140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94246012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28025978E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.39664614E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05584462E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19334972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.24156726E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.19425066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73400740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.41310495E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85426344E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56690601E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.66322861E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55159605E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.58897874E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91460154E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.55879944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.48317061E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.66717135E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.02369538E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.37602689E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.51482785E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.35525061E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "16": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.16142169E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55349922E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08810652E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55882955E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70641299E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83366896E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16939128E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63388070E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63489325E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60453832E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37477737E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50896037E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71941864E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63670487E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42689156E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29371521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17463048E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05205208E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13304794E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62391529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61686339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80859138E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82473150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50535024E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44462640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.03084619E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76773927E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24200590E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89571039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.71319672E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39398360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57657053E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53785266E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66077206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78358081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.09551442E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65346863E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59654049E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.72760698E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63342090E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61709431E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.88686246E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85976446E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16669801E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21628672E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.99691216E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04556723E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56566620E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84368354E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.68333593E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37506899E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.44032496E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.26935913E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40413194E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.21817990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.88654327E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.83982065E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.02365835E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "17": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57549748E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05505721E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34810198E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30984833E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94630345E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66885986E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48343210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89467592E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16919299E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84125613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46371640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02676431E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97306396E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91320008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08507380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63925821E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35745148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02604762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66650895E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91688614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.18557916E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58016383E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20163264E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02703604E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12693793E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10603118E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12273861E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.22941754E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23880618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07499825E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98444333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84920905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.84906913E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31333579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11550066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74287592E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42023614E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93766710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16023011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23096823E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08042283E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16874616E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.58745962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62733533E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50473062E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22652869E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56939107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.66530552E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15938215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.86876893E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.89242835E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06320846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.24643518E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.08949838E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.42916212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.46071387E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.38011330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.79040177E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "18": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.85215539E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14581165E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61489322E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13969697E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22576950E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.68069029E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87439431E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14930973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85538873E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14863608E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89287173E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71310150E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31197392E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16265790E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96922305E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10429980E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60841103E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31212016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.34632158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27765183E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10367621E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49392119E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63911657E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22771081E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94440172E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33252769E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51083167E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29359409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60514279E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05195604E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60777360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13586022E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02227464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99563447E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46219755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14855846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23532082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30132468E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.68872887E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.96410452E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.58311790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36481024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.38362527E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12760327E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81697309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56227967E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13980610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23476411E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50064473E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.15369351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.46933087E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31490711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.46331140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.10939690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.65758742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.09341564E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.01086986E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.75157703E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "19": { + "references": [ + "dyall2009a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13549079E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44783820E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74102681E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11254518E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31996593E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73831411E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08936224E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53987752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96582161E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.82413497E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.09167182E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95290834E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.57195763E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80522934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46322913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28634800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82901191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66685108E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97172682E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03503073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52191217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96049023E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52677330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.87029581E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97742364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97736337E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.75891610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82402564E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49678036E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11473059E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10653406E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49278511E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.29525076E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50639829E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90192154E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29542856E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00261635E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13634900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78926839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72686327E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37197897E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21807594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35814612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35039295E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74571205E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10471140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76562732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52410076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32673865E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66889679E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79319352E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42877973E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38139415E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27811479E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.49580830E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62847130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87798318E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13950837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.70229030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63280260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.52412988E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63333825E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.41121696E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.64491020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.86983860E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61969149E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.99098690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.42751950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.06891409E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.92107759E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.91000750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29553834E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.49857020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "20": { + "references": [ + "dyall2009a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04228680E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16345113E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82914701E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81107753E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29268529E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38191278E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65204830E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13021383E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84974996E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61449842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14723826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05304085E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04058386E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38295107E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83526157E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51710612E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22848822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50766318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47464024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31922150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18284625E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95343272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15504707E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13150218E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91667373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04283911E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12958451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57966129E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36436457E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69852566E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77469743E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26579828E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99250811E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01201931E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62941937E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.20126371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62087687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19192000E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72247713E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86053748E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46603651E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.64564826E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03210840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10677559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09079258E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61328900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86357468E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29433694E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32649059E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03511566E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44643293E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.17935013E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.11827140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85863020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.09873647E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70417082E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.56538402E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36206950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63218424E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.17542957E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29192334E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00576600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12636170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97600263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.74015401E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.14450020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.99058802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18385168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.74741005E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.17359170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60298687E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.76716670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.86062450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.36690914E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "21": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04694391E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26845735E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32491991E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01593035E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.12695186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71976789E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10393775E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73026015E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12699122E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94620753E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80111360E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38336815E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21307065E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30543985E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33370352E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78751851E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70331313E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31725155E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91774117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54885174E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43494627E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64290702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53694524E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31789957E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84545000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48586730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31924554E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53869419E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77290281E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87205318E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.94184039E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59253008E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47033426E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09369459E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94921871E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.33442949E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07686365E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39242267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66183922E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32249528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70099871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.86934981E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.68053991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44757107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26696168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50384966E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29768774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47291316E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.08173966E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34872417E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57397767E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.15945857E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02572229E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83869110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37497256E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45777705E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.65777659E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18655042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56324644E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.63867006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67357935E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72864587E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.89625633E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.44155142E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34711092E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.47453546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32610698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.34575417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55104026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.26351076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35352306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.29698615E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.44728397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.00363825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.02699687E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.04605908E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.21534746E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.99603610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.63681233E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "22": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08249475E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44527181E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99869767E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25526531E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99949246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06372142E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25038087E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36667905E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40362397E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12070599E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41881953E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69614015E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37230189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13571503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78108239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03065213E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10154897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02390005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29884618E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75369047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.57312795E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28075846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89004489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50824452E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83930834E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97882926E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50008087E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45476199E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16565237E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03821881E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29663677E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92874603E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96375850E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22403881E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28977209E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.55831503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57038782E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60860327E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66997291E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81645608E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95189652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01773635E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37497060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81491583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45721728E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45969867E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75774226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65502456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.84083915E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65281665E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69103875E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.35095166E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68983632E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08664625E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15796147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80747938E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.34825903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03937170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00768518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.96374567E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.86948322E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.32322345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06965398E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.65931893E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78155358E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.92893961E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50017766E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.51065624E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.32161344E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16309110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.39061751E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.75699676E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.30487518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.46946080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.58217530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.73244108E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.68097113E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.38487767E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "23": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11669596E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61849501E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65729493E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49371700E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89221781E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41095052E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39212147E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98346593E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68891755E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25573683E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.06008475E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00899163E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53242046E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.97972822E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23279407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27822916E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23998805E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79856949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72558276E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97660582E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08034422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96194784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26502365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70050638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.81553117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45277123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66845223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24353756E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50338278E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18141527E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65770471E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34546846E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57759385E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.60012792E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68995492E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.95447257E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12359597E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84872238E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78455704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36140542E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22845195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16168170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13679212E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21528320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66249454E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47453822E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23620880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83531417E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.57015093E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93613595E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79771449E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54106095E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31234295E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27323709E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.88478350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13155268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.90143156E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.81622561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40668223E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20114224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.90063212E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82663114E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30389930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.66550963E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14928311E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.40610814E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.68379008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.41795532E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03925896E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.16860471E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.66078348E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.07957677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.06646202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.30708872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.36296677E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.22307180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.14109356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "24": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07994817E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49640006E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23382536E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34324672E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32309928E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18220237E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29641482E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56973330E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50349329E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17028799E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64851040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79850012E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41909835E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34531913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86932007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07005354E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12260399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.14860096E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37962845E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82272135E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00304346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54067579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98874347E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59215248E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.38750984E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32271465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61206536E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.21347401E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10592201E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05790041E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49452817E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75368550E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16840314E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.91740609E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07526078E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13105675E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66489565E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08497637E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.88547044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90082025E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50247803E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30456256E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89443182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61393655E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86619598E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.47721508E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70622842E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00698997E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.25111502E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19844711E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89580992E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71860591E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.92934962E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45460331E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.58446074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44200972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13870540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56074114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78888840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39678264E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88077493E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30135093E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52277720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.59253051E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45665594E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.82366856E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.85509934E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.26436723E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32623476E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.09799939E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26626142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.38373970E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.64420847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.08681624E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.89935722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.75121341E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.69347549E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "25": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08358536E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57677885E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.68986271E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55628245E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.28607333E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61894043E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49838559E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52691847E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96689701E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39707288E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77570527E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36996946E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71370979E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89311140E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70195160E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52681578E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37593293E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56178296E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16459650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23208023E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22707927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80027209E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72982759E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96843454E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02621243E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19318560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88852392E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00897473E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93281092E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38872488E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24483861E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35569567E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.03906429E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18151999E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61282357E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31494436E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.38181475E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39176317E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12916857E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58082163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84442093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48096904E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.82073921E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09700552E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11055882E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06613714E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25178424E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20888831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00408457E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.49136286E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00024396E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90870505E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63056484E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65863152E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.36332347E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78424450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30109129E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.36815601E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20035402E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60576376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.91783634E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.79743802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74769583E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.52334828E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74706978E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.43488953E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.08039402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.12254163E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61661013E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.03844275E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.57031710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.77342073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.24161701E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.94059985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.46587816E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.18480562E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.02584227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "26": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09543802E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64280244E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.98451059E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68907137E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.90338733E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89899022E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62404418E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08812223E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21705496E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50997933E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30045705E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62491821E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84474910E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.60320753E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09809838E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74968103E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50207128E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28172557E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.57564901E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45679462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35453098E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51976857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12930088E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18198998E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13558431E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71934228E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03196351E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08335386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25424091E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52180323E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.60319821E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98674721E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.95186813E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37949829E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16651113E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50138179E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09867922E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69549321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26747546E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24619525E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17764989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65271160E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72344143E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56973310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35023188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18271242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78947832E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40230371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07806313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76220091E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09569409E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.08077971E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.33761805E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86315774E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.14257727E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12622652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46334951E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.17582003E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.61150356E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81396818E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.94663568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28694260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96835386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.42899876E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.01959344E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.98594251E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29317430E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.97594770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90287708E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.95558589E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86396713E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.14587536E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.85699386E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.08568691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.05604862E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.59389083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.30142031E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "27": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09197104E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69684127E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.36036599E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87096299E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07009700E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23082280E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75972466E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65895577E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46834587E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62607403E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.86530678E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91383136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99814390E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04314919E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54799890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99622799E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63865136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04090624E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99561822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68639019E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48223526E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22332540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50303747E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37642118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23336227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.19068652E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16146945E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13777978E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49565076E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62930508E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91308049E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66107891E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93196652E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59217515E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76166541E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70256793E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87650517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02620406E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41811754E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97011401E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.53982339E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83900888E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69925808E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07693623E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60490016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30521505E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34826532E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60003312E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15228523E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02977843E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18841512E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24611436E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.06112917E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07202425E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.93763309E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.47474506E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62861892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.99853088E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02973032E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02514731E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.98577656E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.77862774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18853796E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.32502144E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.28631722E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.56555533E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.51666463E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.86729740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20164704E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.91306950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17067173E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.53599621E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.51557269E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29351188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.70533949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.00829707E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.61744073E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "28": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13133295E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84821113E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94684600E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08653159E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15203336E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.56858271E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90835410E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32295369E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76650765E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76244611E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51192378E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23135321E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15795338E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12575248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98957771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23793780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77116095E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.76266012E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38794371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89134685E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59504975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84531811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83975704E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55612549E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32636300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65424637E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33270509E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21209696E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80965648E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76061546E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.27220670E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.50909017E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13761782E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84726900E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.45698898E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93233270E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.74863788E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39200223E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58326146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.75906926E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93291889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04061853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07536737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.62521016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87959990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43682299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94517675E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81163223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23027553E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30432841E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28110071E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40921899E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.82426697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29144402E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77117128E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83956652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80150010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.85897895E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46691185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24563246E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10680795E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.28838308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41510581E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02363788E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54476131E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.17247749E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.75054942E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.80443011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.51508374E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.91667774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49191649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.94392143E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.23943362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.52870080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.46026478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.43477379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.00215821E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "29": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06872119E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66744889E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32084685E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85372185E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05716588E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.15523541E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72125855E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46651318E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37594158E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58274777E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65963613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81341193E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94844089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01917036E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43721911E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94505890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61280846E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89318870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.91341383E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68150236E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48861735E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.26190684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44827667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38614399E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25949069E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47062924E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35907386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16236240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61592643E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71414234E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28799346E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31646686E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.32844607E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10521881E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16751233E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16769364E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.64219102E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76669950E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75228814E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.56556241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33437593E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24649747E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18301059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.18409401E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15894716E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57034545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.54853508E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02107106E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30599794E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56750898E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36890801E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56220074E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.55532041E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50526957E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.59241857E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20116462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97340960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.71565538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.90109836E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46352577E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21320102E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.78744029E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63636175E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11244573E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.79618784E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.67420791E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.95845548E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.77600324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84162367E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.96850736E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.83056920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.34652432E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.03069294E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.79443678E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.33935881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.87565614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.15320412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "30": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07593155E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72212271E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63858453E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02261612E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14351473E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58015421E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92983368E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50176886E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89529499E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84643855E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.01429466E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51577818E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31532927E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21208457E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.45998850E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49483438E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91466131E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05913265E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88244907E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20021039E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77849857E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.90913672E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42648814E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89471392E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51472192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66765942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63572624E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33872831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41048704E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04414989E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29571525E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.39336047E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08946717E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43910723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.06956198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46129189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74194990E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22354877E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95720571E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.54050737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81922318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49489763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31302824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86363894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49744915E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73082185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26719830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28392657E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39952619E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88121713E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46876869E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.79667381E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01852954E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96503030E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13204871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.95718763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.33426173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15260581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84568111E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96207967E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47423241E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12946600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29856175E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40880452E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.80750333E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.46252175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.24797337E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01068672E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.31518803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06702579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.43432718E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.81375404E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.14128641E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.20146922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.78654579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.49186354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.38472241E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "31": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96089449E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44831720E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61552488E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65237057E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01712385E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20623898E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84428794E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41297024E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95307377E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90529584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.39666300E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72979768E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42518429E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26480781E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70024560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60443705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96990836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09120155E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09090649E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35830923E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89034268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07030753E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.00108724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22591019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71590896E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90966451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61458973E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87413182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04125769E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23405667E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43950700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59297069E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33812938E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09422688E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41733512E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74137088E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81743374E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.69292056E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50283993E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68571886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46628691E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38118144E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31883166E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24307375E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60221463E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44178031E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75991005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72010115E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66397680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59088832E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.82556004E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89847306E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37490210E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18749622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.44560184E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31308059E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74935081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71362840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34399334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.85110343E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49998836E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76630535E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78040415E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31414477E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09574474E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.31207616E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65498270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22480280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.13113230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39235020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.90072500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.04131130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.46164590E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.49733170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.70975090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.18122790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.65550470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.42526350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "32": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00653301E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58795422E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41614651E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02809507E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18621897E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95354821E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18392771E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00281015E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74371108E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29278607E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12808505E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65111021E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88553310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50131525E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.94974389E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27963357E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33911242E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29436321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20898126E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95951913E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22307777E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25502237E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01764419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78397160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02511406E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06110439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48212851E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33515093E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13079414E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30643062E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05104990E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96655628E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88679730E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25057813E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71960290E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.67928160E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15315228E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.03753985E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.08978721E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95930546E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.81027836E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06808786E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67899686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43622490E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.64995950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99943429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05526181E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02937774E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46925847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01059196E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85077118E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80829013E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37177200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38690362E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.00377886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52301112E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.66744668E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.15302506E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56526170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.01195213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12025569E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09917493E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05570626E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.22133441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52826930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03879707E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64866480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41607460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.85872840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.68460600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.08270040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88572650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.68909550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.82558490E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.20853750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.52867340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.82621930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.29850410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "33": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00115508E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58411384E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51118879E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13773139E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27769747E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.57671019E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54374901E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18326795E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58488516E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68076037E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31031973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52903974E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32155388E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72529899E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.13798749E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92727302E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69728368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49216984E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28794948E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53466741E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53952188E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43043651E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.98826495E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33298452E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33589497E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23815991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55919721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88711802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39917947E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56551668E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63039550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34152350E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44580797E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43814585E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03056622E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64231339E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49574806E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03974177E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67768089E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23097254E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11341935E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73962472E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02860403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62247284E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65461989E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53759510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34664734E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18965094E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.34791674E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45230350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09406101E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73862323E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84298270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60183683E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.60418243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74788637E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64659826E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.62104908E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80125294E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.25291461E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78630940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45993056E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25268972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.30122308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13727739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31060278E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.81977150E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61450470E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.61650420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.99097520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.95325010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27299900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.87179300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.12147240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.73316600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.01828780E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.18443750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.21664880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "34": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91593101E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62169775E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89176751E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37340512E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40999323E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26665742E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88825184E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35034653E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.37195391E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04676530E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48546827E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.40208285E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76660030E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95394995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03146733E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53049132E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00772447E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65609510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.18101699E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02849306E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82504619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59845844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98132089E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82168403E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60970398E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39454081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.50176260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35849381E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63814063E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71081154E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09295140E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75309494E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05936956E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.73316063E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36574648E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66184434E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85273973E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17994342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27857691E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50591044E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24587055E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.40482645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37325844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80608927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.64781233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07098484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63733412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35088575E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25167048E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.90391995E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30783230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69184458E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29359340E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92909664E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.50957204E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08581489E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.11604116E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32554602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15761535E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11367515E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.80495566E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00791395E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53558403E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46980965E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83603244E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61867736E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.08413320E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.82069080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.40663550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.31218800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.04177410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.78907440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21981070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.26661920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.28396300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.72879080E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.64188720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.17985960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "35": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00415163E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66835159E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16122790E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54871889E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52639226E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.93656921E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21216590E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49349131E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01983430E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35721480E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63924554E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.17116242E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.15362236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15100296E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13360198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07162395E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29979165E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81489395E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00423254E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49563078E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08070264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73917366E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.75798563E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25758346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86830634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54951182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.47947017E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84705396E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88856063E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93378600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79753920E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15366937E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65842980E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99991800E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69431072E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65996047E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19973144E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31485999E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85166374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76669702E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37132015E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.03587068E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70147396E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98159804E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05994892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58469383E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92068966E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50996211E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16822317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36348190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52633693E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.67243501E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73860940E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07164147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.89926605E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23008156E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.73759806E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61836295E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30405742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18973726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.20836310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23421738E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67913744E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.70266782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59929469E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95251173E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46060710E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03504280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.23060310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.64874480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.26946570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.41662860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89005820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.41813420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.86135850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.57431470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.16364660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.18848000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "36": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.80722628E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63969789E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.30612463E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74159549E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67601811E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77127691E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60917773E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67521319E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.84716204E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73282723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81147914E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98468478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.55336554E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35434426E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23954892E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.63242454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60035699E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97765289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09263619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96935037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34963478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89573982E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06813258E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79511323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19234244E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74262663E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.68140330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46194139E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19473481E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03764968E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66263520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67939166E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44893307E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16639883E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12188221E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.94980123E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64614471E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48758974E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58162901E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09679495E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52857063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.81568824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09922546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18965038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17020768E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16536132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23295894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68109317E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13485216E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84708060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75633980E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.70292298E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26996990E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.33030445E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.60368013E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49060085E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08617705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.15265824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57287980E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33084094E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.96609746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64680991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90635777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.99546949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42127221E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30943434E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.82441930E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25785540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.08953850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00103330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.61765760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.18637850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.31587920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.57614090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.46573240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.51236770E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.61505000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.02428860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "37": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.73958229E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61676114E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16368028E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63865865E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60167190E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35046542E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41375779E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59124566E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49457109E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58708009E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75279641E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.75675702E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46648281E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32036001E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22563274E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57593134E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58035601E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97317822E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09373014E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97614010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35199848E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89225083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06247497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78753508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22568727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79245141E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25002079E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88806380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59275782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38239249E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84073663E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68561384E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08730430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11404763E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42028518E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18459002E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23576209E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33474942E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55679260E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12623300E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10030292E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66370677E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.32930016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43848992E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69471822E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66470920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54749243E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43255355E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30762619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02822342E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79181379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04445875E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05989893E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42063058E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75166935E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38344281E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40500561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82981894E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51479598E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.85788837E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35514806E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61377959E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.37076534E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77322450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20777746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72982528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86337217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48357570E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.78927332E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09748029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15861511E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16453489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.90598179E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08922669E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78357852E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37758178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.84077411E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13732908E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.19801056E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.96040680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.69831621E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86299060E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.13594133E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.44558010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "38": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55372301E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56470515E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.95789436E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53612758E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54300054E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03610613E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25120967E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50916912E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.09560096E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39843202E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66285615E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31383055E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24351505E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20652991E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16548935E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.24148632E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38682170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85963785E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02837368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59664725E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12340456E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74818624E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65172924E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27821659E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92273323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59024547E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67209709E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59933247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40663492E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.11697936E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07010959E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63090233E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35951434E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80493727E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86588338E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.30259222E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56698157E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16406523E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30806628E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71628020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89775088E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.30621836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.87584493E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90102122E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.68009307E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06438625E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70484835E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45106614E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79708604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21463384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28964235E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21706460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.37305209E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34638438E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74857191E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99516503E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55755002E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29961397E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15323828E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43741042E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93562364E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.23516939E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09066953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34402971E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.37537132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18771441E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65372261E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.70330779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59365637E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42997343E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33601235E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.46617783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86748937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53901049E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.05239054E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04144636E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31750491E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.23414361E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38624800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27202100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.15870771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.07981880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.13323090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.71360959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.96748396E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "39": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.48880343E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54355230E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.82661415E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43478415E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46818402E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.59179703E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03201372E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41184889E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69031475E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23811123E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60059066E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07208760E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14623890E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16274453E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14480171E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15374620E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35645836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85207151E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02909322E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64579321E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17401891E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79035564E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.97054657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53616050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10982533E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71557009E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.28897869E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98860963E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63553881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09898413E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65831728E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88494081E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48330882E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.62800202E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71076500E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62632048E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85160803E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90181130E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52936102E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47128917E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18568575E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.50825927E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.41481861E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15689898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09538322E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72026532E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05258438E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63926791E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.88111617E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86595766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70890231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51020794E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.18872852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42116112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35291685E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11203579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54703962E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73898293E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34107904E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86659355E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.78413353E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81826222E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.65850063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84704547E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34303151E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.75192723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.53830368E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91209284E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04735920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74902586E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14475028E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68071539E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.50346226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12630425E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94358547E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83555742E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81662103E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38761426E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.99052660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09352310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.18366900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45867720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.13780050E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.39158832E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07281768E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.28418158E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.76139400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.09548960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.47090560E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29799520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.25386864E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.25835205E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.19450700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.37184540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.36519333E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.88397800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "40": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.39294069E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51328129E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71427083E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37774108E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42040122E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21592790E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80287718E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29756974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.16722660E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99839210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48753144E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52842236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88579174E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04213466E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09057128E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90480324E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23294126E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78452022E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89786678E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47883113E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08232732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73172665E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.44195762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30035571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98293120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62495294E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94041483E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90905393E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67472714E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23482899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30413099E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24525160E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68005294E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99039164E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.37184502E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.68396861E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08208731E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.50751472E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71216448E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09315194E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42126199E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04859583E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.85167089E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36397299E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19838245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25122150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33453295E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79192293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69980454E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29947232E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93182201E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60798608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62340301E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60807028E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43474679E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16162779E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73036877E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83410529E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39284814E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83696306E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.15814742E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91725742E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.02671948E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00966036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42232464E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.16275138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.76022175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03561382E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11718870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15155501E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38144371E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82221409E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.36531788E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66008152E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25525852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05205041E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.64519647E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82406753E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.25443950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19650150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.61522460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63285940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02399187E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.36807069E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25481121E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.18270400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.28307150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.20005790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.46379060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.44824198E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.01300241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.71000800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.49766610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.46936917E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.15645630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "41": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.17834910E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45520647E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50711756E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30491081E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41404384E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38703773E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95737230E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38064612E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53275238E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15010847E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55181187E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80782634E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.00604611E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09113132E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10821116E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95534910E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24222045E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78410289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88010847E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47888627E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08072927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72837742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41934334E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29584485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97987320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61633465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.78927875E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73724928E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48056494E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20933198E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05408902E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17265366E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70744561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04305224E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.20053149E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10342579E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37776084E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.28086721E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94339115E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87052910E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71242149E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16824435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.38139705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61266891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32081517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87545659E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66216071E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96732657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06470485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81394180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21745455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76787396E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.49434243E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07923154E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68393083E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27579823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24111220E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05697444E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48693879E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98257752E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.51052159E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75735289E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46980817E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78015101E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31667518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63098684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48068136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88072472E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02736565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63503439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07910262E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64555685E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.45857954E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20175745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01929231E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34711011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10301204E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58845494E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52801750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30341760E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.06485070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52701315E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.37430649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91072117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.36907100E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.47784120E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.95929630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60147040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.51410503E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.88657174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.62190600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.62839430E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.24395997E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.08132010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "42": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.97647920E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39995988E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29083825E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19804809E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34508362E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95878766E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74716553E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29413107E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17893660E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99485816E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48125723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48948161E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86111974E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02169032E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07331397E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77850191E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15299718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73712520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.58532388E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36880264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03567495E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70966176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24998043E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23965788E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96583949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64023573E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86859328E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73375966E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38273606E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21856526E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09518121E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16166758E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65394412E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95752730E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07327488E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24962998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70175549E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.13240185E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19820339E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72605495E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03199789E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29918096E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.95950304E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88341611E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45392630E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55470125E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01957346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15954630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17077997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41327324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57065628E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98079165E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07103262E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.74287895E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02396414E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40226566E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78151377E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27999640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57539602E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13740837E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.51052159E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75735289E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46980817E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78015101E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31667518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63098684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48068136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88072472E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02736565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63503439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07910262E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64555685E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.45857954E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20175745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01929231E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34711011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10301204E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49984112E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.81005950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41375970E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.52887110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81106029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.52515500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33727868E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.79092900E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.67905540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.74444150E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.76797800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17046736E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.68264253E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.22754800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.76368750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.19422842E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.73140930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "43": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96248061E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39064156E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22079709E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15380620E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32025444E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81514358E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66002779E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24868500E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99038202E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92835142E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45775577E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39141597E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81646745E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00350331E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06742079E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76650965E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15395310E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73845692E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55449571E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36024973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03475748E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71373252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.34476936E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33563567E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03532684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66325251E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02083266E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79840149E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29515729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24313575E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26077215E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22834841E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64995440E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97004111E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02402613E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41065723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06188313E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08554268E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48466517E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.68827920E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39052808E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44545138E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60200974E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18272005E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60026948E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29731709E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40807361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36752533E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29989204E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29755039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25180366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50580931E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37533845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38313311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82848841E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69682265E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.11250696E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80728081E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76572426E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.49135107E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.98450029E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38268635E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.67959251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.70580828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74916219E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.81350571E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.63531997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51635024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38673054E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68862540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.27066941E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.33826012E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24018901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.39237800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.19853010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53843621E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.95166555E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72672868E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.10084710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52764100E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.00782360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91277213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.81936146E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.36464188E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.88214000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.88685540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.05559940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.97015390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.35722453E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.35279769E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.45093240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.90361390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.45784268E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.15261420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "44": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67995959E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29382300E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75456770E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89899329E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17093236E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95936475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18461459E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94937078E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.68030284E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26815862E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12867413E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75447910E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00497951E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60545129E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76429266E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89193671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79562947E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64120558E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00361133E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40557464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07542606E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54969772E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59675967E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89415316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01321649E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54064429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95698644E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07759711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75886478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94873639E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14046375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17039851E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37085595E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.63519219E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.83428848E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55294950E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38516943E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.94803460E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74423602E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.55725794E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71274861E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57632983E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.17564463E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45015622E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73137029E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96461003E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.75754209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55409041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39087499E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.71842841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44632521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63303987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48086140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.04670229E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.17805734E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86744880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.75225638E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02796064E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83984361E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.62157951E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.70641691E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31173300E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.42640720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59780655E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69695262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.53411826E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47998692E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42571020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33144253E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.36227453E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.07328349E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21509541E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16705037E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.95593892E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93720576E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39001633E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.18087625E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23034038E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.40185740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64563700E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.50591270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.39042326E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.90437153E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23510964E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07837000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.10213140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.13990580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.61790024E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.41752884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.80584300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.04855950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.18648429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.95494800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "45": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.65528664E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29015135E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75307298E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90148746E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17384456E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98313075E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20139402E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00564315E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73961199E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29665635E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14204953E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82148220E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03773655E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62031398E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83118319E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92226094E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81012736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65038138E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01200509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41489690E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11024043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59155868E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60465660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.95972016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08590376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59962537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96246820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08541693E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81788139E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95298949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17330737E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28113903E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41570950E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.76407518E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07887173E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72049534E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76638327E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96687313E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05158979E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05856934E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09162479E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72872147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.83639928E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75485884E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87933624E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.71315494E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.14855091E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76304220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49693488E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22783493E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64019333E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65254785E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46018892E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.88359197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10990739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81427808E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46996856E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93033944E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81657233E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56169078E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.32362702E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46217102E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.93421762E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80144277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78708063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.95182215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.68173642E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52467594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38031774E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.62316562E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20831250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27692242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19134854E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.00744084E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90585746E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34223627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.80303882E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82515958E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.71174420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76721710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.01903700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72353261E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02594380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.73889855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24630000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.32405170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.22686630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.85263469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.38120578E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.12706900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.19816180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.36747079E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.55823600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "46": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51812592E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25312129E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.62674848E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85501661E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15534880E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90874551E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17267560E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94069531E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69022637E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27618592E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13377650E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78544068E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02032095E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61177183E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79174094E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90499196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80040394E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63940376E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96487026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30808423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06321205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56797833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57773802E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91160850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08221670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61998698E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97763589E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08906546E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77993974E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78806570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19297678E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37702384E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46424189E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.90032758E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15301095E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85634615E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07999144E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08063449E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30334336E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14221656E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39871976E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85232935E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37377002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00327119E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99987929E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03195143E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46198273E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92773111E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59382173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.86034458E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.12111954E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04772554E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70254077E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.19914931E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74215051E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05181526E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.47558038E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31372377E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95020699E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.80725077E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.24551095E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44336371E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87409461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77945519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.77897492E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.92667875E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67798703E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52679553E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38266702E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.63647435E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21421514E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27993188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19299190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01255077E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90324739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33772176E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77825219E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06695162E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.03546690E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89460220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.56047090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.86610434E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06563510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.72280095E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24093400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.55526930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.31790160E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.04666180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.13684776E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.37894930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.35394060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.51283301E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.04277640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "47": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48891523E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24801230E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.62438887E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86055954E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15965255E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92939899E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18198792E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.98411680E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70679206E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27890856E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13124763E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75332969E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99877414E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60172857E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.75654182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89165391E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78852819E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62443801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86086937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28069484E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07799824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58644148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60577541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.87584049E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05999232E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62654553E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99713269E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09599752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77593340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64375865E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19962261E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43939092E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50202023E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.00626826E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26556837E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06382482E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56349994E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21179486E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70275223E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27626808E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89244671E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05072673E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.23331049E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39936297E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19206288E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12911766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.96947967E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20001156E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73503427E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.58240254E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47117471E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20131958E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79090024E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74489090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.04624400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14257417E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.83290668E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45900405E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00794840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90305836E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15052764E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00301320E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08201828E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.58361687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14992839E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07795136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.64961893E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05863444E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68196766E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.33928624E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.20513639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86083816E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52523078E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.87359839E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92251598E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87141456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.33940475E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81532824E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.36413070E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.02368430E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.10660210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.33094125E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27994082E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.71950493E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.57316830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.79103920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.41051960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.35526355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.62426587E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.87475520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.51319550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.73565663E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.78552200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "48": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20023173E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17441096E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.38458457E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77325105E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12639702E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80055304E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12972215E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.75883209E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60704465E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23605243E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11376057E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.67999973E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96231491E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58052044E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63725283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83889756E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77785149E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63296054E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.85753247E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18810565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97675034E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52557376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55860220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.72812221E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99805963E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60179992E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01320778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10757231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83219975E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32796825E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18064947E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73965776E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77203739E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.87030197E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38506049E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29325518E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.10539203E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35914491E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14974331E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42545570E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43782949E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26810004E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01681761E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82736834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39834541E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23259002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50417353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48314679E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88440827E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03743216E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88581814E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38132404E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85942001E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96850609E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13279905E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16102745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.85419757E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46412681E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01364746E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.91697447E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38458253E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57970380E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28115651E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.40216858E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52604275E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26564966E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63821936E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.60303345E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99217794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11269890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25547521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48041742E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88236338E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.88473488E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.02544664E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44708899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10682149E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.73655661E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.70364850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15731280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.67190470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.63131702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40791020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.29555127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76518400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.03439200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.50617950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.63745469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.95665443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.31888500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.67751210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.95264687E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.50882300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "49": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.15588245E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16045574E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33477450E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75473708E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11752317E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75031204E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10031399E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.58683237E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50823159E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18110960E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08447170E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53038708E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88744113E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54276410E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45133951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76109691E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75869671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63645634E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.98331809E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17344602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89196819E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49764133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54309278E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01226513E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35325824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83725065E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20812109E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23484177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.64108187E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82023340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46951339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.27042078E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51420024E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24202530E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14285261E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10703479E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39835192E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12827356E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32812540E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.24543567E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14156932E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28026580E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56784261E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56979056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24621086E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29312238E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28629638E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76154495E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62510513E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.33583798E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96794314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63502866E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.11368009E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07673330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75164607E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44337869E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.33302406E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38865368E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48397466E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35997650E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69840652E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.04303040E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62905241E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17442205E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48416435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22726937E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89889986E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44741769E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56912295E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09825860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26442772E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26477037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12674685E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98695627E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17753145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16612944E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22156071E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41625730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84820517E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.26727498E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39659730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.56172340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83190220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.22085400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00472350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70975610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.58982580E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.03282350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.20819160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.42676730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.39331310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.34036840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "50": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96795500E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11119522E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16696365E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69225712E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09392608E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66481899E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07119015E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49506494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48270474E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17399110E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08086310E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49968365E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86206988E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52365581E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30254969E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.63322519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65118336E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57309286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04467316E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13295895E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47433517E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70077218E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58933254E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.77317714E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01995245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71106157E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27068593E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34243415E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51652042E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50622525E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85093891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.21194301E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43489075E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76512510E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.35240669E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.93626260E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66826171E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.00364173E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62508245E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36979134E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58154675E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45827428E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32551995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.90565733E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40227219E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.05148797E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66566945E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95574797E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06434677E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88793257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27612146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80870206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00907428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63112444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05778465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60852839E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22049370E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79623210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74936279E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77264302E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37443498E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23809670E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81464427E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61331704E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63137076E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82315856E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17168340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58413900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.29945687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.50715619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50183081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40479225E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96553731E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.49050650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47535735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34007678E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.21422907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95454416E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15733668E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83341652E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18999240E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.25231200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12818070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.55201800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.99547860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51527680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.55347420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.37232760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.38464500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.57815540E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.49230010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.63459270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "51": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96183736E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11770846E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24859422E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75776115E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14329604E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99844720E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27945882E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07192363E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17368532E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55332333E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28692474E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.62033548E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47390862E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85796473E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01284262E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63772738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21324445E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88100672E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14093315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08796491E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44689041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77199249E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72432481E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08915047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01556281E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51396529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78364080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60957886E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89378396E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16431948E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23007258E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11345555E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35543852E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23121840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46221985E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01575242E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73713577E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29076973E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74815689E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.81812873E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74972535E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52932859E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.63693278E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05255930E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47582981E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.42560194E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86085028E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05997565E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12083771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.19960605E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45050581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90776728E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06780077E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.98157113E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27450729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73958628E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.00011195E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19048142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98678088E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07208894E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01806964E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59725590E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02828772E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.13345512E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80825272E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.54321537E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49975947E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74617448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.14523329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.96621556E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75900582E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55087396E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.80992657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.98159467E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75855835E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50373012E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.18803797E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61537144E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61884581E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08787865E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09333000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.03496760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.44815710E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.95627000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.50108840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76260620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.13555750E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.71690130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.56501180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.82470610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.73454560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.93676480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "52": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64921967E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03542260E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98011284E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66692233E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11057307E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87189939E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23301043E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05935164E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17247054E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57889872E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30739978E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74230971E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54575394E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90220278E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03868905E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76133414E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24520201E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86056671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16255975E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75677524E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02273345E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06791292E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82195171E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10037387E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.72631348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36188584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98886509E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81337912E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01746450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.00002959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67445531E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33179820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.37403776E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75395450E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36474997E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00682219E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73666052E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.33201925E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76752445E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89387210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77871882E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53797598E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66109925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05449776E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47228205E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40299262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85482156E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06264274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12714149E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26637153E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50578629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94713640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09734793E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.18387767E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41397530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83771080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.67533600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63236006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22726041E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03408124E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64368215E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92004040E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26643760E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71896131E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00761489E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.34712110E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86075576E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92186315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00516991E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.45435516E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03152607E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70557763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.70334581E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.50009364E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05625000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67393921E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.17817885E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.31938197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14870464E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31570142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.04211430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.94340740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79719200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14495060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.15526450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09779310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.70910550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.06793730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.74990320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.23230650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.05033950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.24762180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "53": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75365422E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06052271E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.04966800E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68476767E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11295770E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85414028E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20826551E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03787647E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02023587E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49017141E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26462518E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56464598E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47778727E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87838395E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03424435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81260331E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34671847E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00232310E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33637605E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86420817E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54897239E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37188981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02948805E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25764128E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92589996E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99285613E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04826068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83146114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05865773E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59420261E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96538666E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50008039E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26099076E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20971350E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44372215E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03169623E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82766903E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65131734E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87398191E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02689658E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92117613E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59550559E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.90789337E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16803140E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52745737E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.68260494E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00298566E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14421578E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17291115E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52493038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65241026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03134259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14805683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48843926E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.60113357E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95898028E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04660173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15039002E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50180625E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17406775E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.31584035E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24757710E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45319443E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15612266E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15091401E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.91788278E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11843081E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04852930E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07114742E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.81282220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23298023E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82144132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03853878E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.90439528E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29322752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81477002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00379286E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.05033104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.72516891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55800800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.03152200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.02111280E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.18008440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30446710E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.88274980E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50201210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.48745510E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.42632440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.93971140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.73129560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.41630560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.56761180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "54": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59319702E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01918471E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.91309608E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63380369E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09275933E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77350472E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17435726E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02200669E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94008883E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44884159E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24332346E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.45528007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42234753E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85153999E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02289931E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77979942E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34913890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01130530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32253635E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80314465E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55872930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39231809E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03080521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26921523E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.95474085E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99886482E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07079790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88151538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10615171E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82742939E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11565390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59906614E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.84762919E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74089730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39431194E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01937765E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77691569E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46774034E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81825550E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00908058E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85988085E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57325284E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81865918E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12812676E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50844345E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.58874581E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95642406E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12254704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16479160E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50731143E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66003409E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04705152E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16487329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61504258E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68472204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02720171E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09803359E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56044183E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72967227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29675711E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.93397399E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63098780E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72820379E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82428024E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37700822E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.82865401E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.52809791E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24862765E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17497255E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.37438987E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54706631E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99927697E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14032726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.48690963E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.62270352E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99926928E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10444484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.77357405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31726720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80473748E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.98668670E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.31702510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.59951250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47483460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.65710450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.99535370E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78074850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.79265480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.13466970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.28683850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.70002530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.89681950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "55": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56993653E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01329763E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89490825E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62818427E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09176973E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78066202E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18788502E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03644245E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06504519E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54283605E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30750958E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.87051031E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68664105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01751573E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12364489E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.36761841E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68554501E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21358153E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47666159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.79743498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11112535E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69439838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20416984E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36050968E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47558947E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35510643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44998085E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14952350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26264554E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35447353E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59597528E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01632698E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14255913E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79936092E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02464378E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72632246E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55162290E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96669905E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59845667E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72484823E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00206142E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88343271E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90482495E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.68756552E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52821479E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02608753E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45271353E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05102520E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.93565201E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01843599E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62227958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40740221E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72421037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28742650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37858349E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34356420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.61555768E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26052399E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34967096E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28568380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.71272513E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44562252E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76153140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81000899E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55718128E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35152640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33829068E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29297222E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17216124E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99798311E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.49098284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60745579E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07862419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.97551909E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47545482E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29685204E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.05580384E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94211916E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23268877E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28064163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.34054186E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.14647563E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30931791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26088236E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.17315850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62108299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64734010E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47572050E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.27418521E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09443300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.07128050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.66355340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.72859538E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.62726953E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.37353060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.63788426E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77015553E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.17128510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.33913650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.26417444E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.37204190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.23798120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "56": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37388272E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94803054E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56010377E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43108156E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70052389E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05477165E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76574757E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96159014E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70714970E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77608678E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72900250E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39649085E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27436474E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21306588E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68408586E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79284833E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20232947E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30598997E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.55478998E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02855058E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77113332E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14399177E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32899589E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11487611E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92386061E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86621500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66009593E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.82460306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31575024E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97097994E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62744353E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28253466E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96451982E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20441521E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21986203E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68247123E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76392045E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28775538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18716361E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.49360489E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12063562E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50723715E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85188035E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15717007E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99845658E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28785472E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10212147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54593889E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89299348E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55226694E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.52515843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76061379E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69877687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55613760E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.00000632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07854833E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80450113E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53992176E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.24328218E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32584646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29937224E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22668999E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.69637262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48021633E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83032925E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.52782065E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40468260E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41452622E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.45103332E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92184426E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20459007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.54334768E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75208829E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43921158E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.81527999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.36160528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46941403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41722578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.14661766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.63030042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59880677E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43361915E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.25638725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16190815E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.49088560E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.91892247E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15146148E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28760940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.57563270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86323070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.82214488E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.25376961E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65965840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00671117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.16082287E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.56025770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.55101100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.24537575E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.82686890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17713152E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.93919832E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.58858340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "72": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47809345E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72387455E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90491011E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25008893E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36173721E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10749588E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88326839E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91518258E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33765821E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15894817E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09739637E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69128016E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01085242E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62508910E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.95394994E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03983348E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90355038E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76319954E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12705251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18883517E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39231468E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72421836E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65056631E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.79694344E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69264784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27580439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78898180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01760706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.67979390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11903444E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59324148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07156157E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10779184E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08357474E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.38546931E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.19230290E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40403882E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21351654E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37737586E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81947646E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78593200E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96407595E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85210241E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22687891E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54127387E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62120707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29276419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61143479E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48338321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88145714E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03397689E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.74666123E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26124974E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87750408E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07620094E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04306766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36610190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81112325E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.67234667E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13140394E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69983288E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28013256E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24296454E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02888266E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46073835E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.15738647E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79329752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16328145E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92472058E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58204057E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.14975718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49239894E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79913097E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.64155853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.29088237E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.95881231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66084828E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.19428978E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00225446E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65284811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33960174E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.29085454E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81969971E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20542597E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.83547295E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64081672E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.86053493E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37090970E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43925960E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.90049941E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.49717598E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83671102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.71187019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.01334924E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.45394274E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08768445E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.07579089E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49703590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.49860520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.03269340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.22415720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.51513870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.44370940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.28700547E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.60992645E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.21975600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.43052400E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.81134830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.28482405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.97935540E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "9.35318250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "73": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46385144E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71916595E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88214532E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23869723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31099859E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08823719E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87647550E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.88730822E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32192700E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14669285E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08634210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59608167E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93735610E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57266245E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58892974E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78700858E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75744481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69644659E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12619616E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23711811E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23258981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65784338E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62117991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.74288796E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69276856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29667556E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91103368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12477953E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.36222297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62301733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66672325E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67249502E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43398765E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24035067E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.66670283E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24198487E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42853500E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31271182E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41630092E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97328186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84880539E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23019947E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96640239E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27643852E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76082521E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72231461E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34165997E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.85970856E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61453081E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95273960E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07353356E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97242734E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39134522E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95292677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12013657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29264213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51302307E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90272035E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02035646E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42902096E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84977375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34193668E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50965584E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16364891E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52903935E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.08416698E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.04097355E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22218895E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11633386E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65598548E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.47180486E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64595958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87729409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00594304E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52136661E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08857660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73431087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.60733626E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.23559956E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78559585E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41349213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.79755650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12990645E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37174441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.62470701E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04816964E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08692115E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.70925027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.58358121E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.59840923E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.86126124E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03372624E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08120567E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.62620014E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.78973557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26379058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.91405599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84086491E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.89610290E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.20235480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.91606910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.80884600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.65976290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.80763241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.20686438E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.04856900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.54760730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.28350230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.40580214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.42152260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.01408740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "74": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41372745E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70676239E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84546864E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22740488E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.27359438E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07264037E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86767317E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.82681628E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28122025E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12317815E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07506464E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55006857E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92012927E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56557310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.54939856E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75289223E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68978522E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58942199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02971268E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22766505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49945109E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84325700E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73749870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03301075E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09437248E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55925540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99918320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13334515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32945379E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48000102E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87397350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.54574252E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84357289E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42804035E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.18240962E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.36094395E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48550092E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53588143E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50330664E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.31806678E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98791315E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80229694E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20804960E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38191825E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23715198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94450834E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44864168E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.39150629E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88724659E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09666977E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15188986E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.40547159E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63032231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08852715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19652423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.71375076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75569321E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04595084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10245970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.86443306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06579908E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44142573E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.95323016E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35333840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60492793E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13091686E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39800429E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30823775E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.39464363E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76270432E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.93400108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86547755E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98863476E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06528812E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84792814E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.27170244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83830156E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01996550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.57171057E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97842224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52348741E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.44648139E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48699293E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55118230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.43635589E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39656041E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17940585E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.01800933E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71509473E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.23259468E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19197084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21283215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18143991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.18853456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.10192825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43032657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.71994826E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17567918E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.27556430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.37296360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.61303640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.10576520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.86903850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.12478072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.78962199E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.27680310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.66630280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.76386000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.49610921E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.86251730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.09425370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "75": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.36028633E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69211166E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79327757E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20737476E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.20435100E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05824118E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87351426E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93106918E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.37354538E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18809597E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11506835E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77793793E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04619328E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63713392E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98616139E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04532193E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91618915E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76953239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13500017E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36620560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53947054E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85766052E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75707275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05101493E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29680708E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72339577E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12304797E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22985635E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02834389E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95258204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17361976E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08733440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42192519E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67534923E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.85196948E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41608341E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51650488E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66703689E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55673075E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53393319E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07656365E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.17799481E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37127418E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45426248E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56633903E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09936984E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52415919E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77307182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.08612842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20290354E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21001493E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.72941507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81465845E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19739060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26146579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.08485729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.96333850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14367013E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15270703E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09972800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16651397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48380126E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10460759E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41791145E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63550016E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11059271E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.67987485E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37097742E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59177346E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83826808E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.26235074E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02044098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06608074E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10587964E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.06958938E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39771620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91156011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06284268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.82476449E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12815585E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60956285E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.95620267E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77174881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69925644E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.13823879E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.68774283E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26645950E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.30750569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83817495E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.82477403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.50048506E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38007411E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27521957E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.71793682E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.39925180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59124925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.51106107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50791806E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.65995110E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.54501420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.31698180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.40667270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.07666900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.26591377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.37831711E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.51429430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.78667990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.25253690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.57890715E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.31298180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.17581590E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "76": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.27221999E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66918880E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72028139E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18342021E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.12792117E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03641184E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87019000E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94551068E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38721066E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19182328E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11269124E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73701674E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01018953E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61221528E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84025233E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.97706971E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93011588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80415734E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15357738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.43265447E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81778922E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03255045E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86035003E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09877735E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56572971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89953178E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44984519E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30878036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.40867357E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17178130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15456465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08932993E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46445718E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70881936E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00172798E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47024335E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55228728E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82071374E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61938280E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78839793E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18115205E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.61533413E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55822037E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53629973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93716264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27286781E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60842588E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19755048E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30712374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32132520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27531059E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09979172E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02761184E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32410972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33734912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53268971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.24122122E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33040187E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26404455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.73081100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50163385E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62500690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.71098627E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65801683E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72360098E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23286662E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.10242833E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46926789E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.90513356E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95790443E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77879164E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.26431108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18872062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17055316E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.42192924E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59379388E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02250844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12610713E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.18544867E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.33714042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73046948E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.63411397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12974288E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87542667E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.92561923E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.98268477E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35104342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.58767055E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95701547E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.39517199E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.79708637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54080586E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36539352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.22901991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.68872492E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.74958291E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.29919873E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84174741E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10635820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.71884280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.00292440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.71210050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.28520820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.40679822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.98556465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.76683870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.90885060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.74984130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.06674087E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.78043260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.25880120E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "77": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26324567E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66683769E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70970969E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17734405E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09232390E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01717475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86246452E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94300936E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42430397E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24226154E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16155634E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13922679E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30775905E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81655419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01771939E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82774569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42589179E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08435403E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28971512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91277281E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61308928E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89620756E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84193836E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23195095E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26388789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25954637E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31315045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38631942E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.06184291E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66607005E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24109504E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16296220E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87342643E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90020584E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05432433E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60878134E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61538923E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06771092E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71643431E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.17777869E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34059553E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.28003447E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84183296E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66143717E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50847642E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54133412E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73826058E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.84520694E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64035134E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49746302E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37100676E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.63264364E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32857641E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50170900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44179023E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.12489271E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59044682E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53894005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38832173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43806471E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88242182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77307459E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31780465E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88964320E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80726598E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34745273E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46118937E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55205596E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.16732275E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05743489E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.20671223E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46581658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29002690E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22411109E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.71542035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75891436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11692410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18042585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.50058337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.52305319E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83944376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.24892165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45735151E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03904087E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.67050347E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25500004E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43371089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.86065441E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07263528E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.94967757E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.08543122E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.69732644E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45335419E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.72925038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.97383438E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90676971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.09003268E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.17906800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24925000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.89474850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.07509810E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.02248550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.49565040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.54836379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.61895199E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.03909580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.03289540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.25602140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.17632329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.26883150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.34324500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "78": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23780991E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66101170E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69657852E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17560236E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09700186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02379219E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86860485E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98367864E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44127471E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24417803E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15809653E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.10199490E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28110684E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79879434E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00553543E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73943870E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35558927E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03441597E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26916346E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.93599935E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78037111E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97800051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82718019E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12496267E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95014290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.29354941E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56031568E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50060613E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.52083862E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65934749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28350455E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14291920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73908361E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86374375E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05623320E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68475118E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65556990E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23595720E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78396405E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44821160E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45142111E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74756010E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04321956E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74914029E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89919404E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72285116E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82610784E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.28401321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86587287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61662685E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43583570E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99058471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.52340492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61019088E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50335031E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46913428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78451346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64002033E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43799995E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66201942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.97343035E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81310349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46979423E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95778151E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83812888E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.35824046E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.87829029E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64862299E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.47337733E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17369284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.70621535E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.70040554E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40735433E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28568499E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.05027244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94584677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22332444E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24157851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.85338484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.72968164E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95978613E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.91592559E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.80676651E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21093312E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.44133195E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.52500811E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51528666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.12934398E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18629243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04943932E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.36856800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.85118211E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53994937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.22346785E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.25721035E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.06404203E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.88825356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52154887E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39524670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.07293870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.14830210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.33814090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.70940250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69216767E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.29269249E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.34007410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.15890260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.77135820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.28755725E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.78806100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.42918360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "79": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20910315E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65310196E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.66662267E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16256884E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04288317E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.00471076E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86130196E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94010272E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.41168672E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22578678E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14666921E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02327271E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22502302E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76235066E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86388945E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69800040E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47439123E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18594432E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37253267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48620636E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.20683077E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29620450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05642268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23541844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56412170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.57399250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73964897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54586970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59898841E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58261513E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43087444E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21525733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08933079E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01852957E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10237339E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75534848E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69124856E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37780684E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83968730E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.67012592E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54151575E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01221988E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20347350E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81966463E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.21744870E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.87039155E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89715089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.64237207E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.05420647E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71861289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49244771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31404628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71314825E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72291155E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56759018E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82986883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99104006E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75797960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50215220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.00999703E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16158973E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88571055E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.75551178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06338978E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87552747E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38912624E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.30851950E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74834650E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.79121925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29550786E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02343767E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.95064363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53367053E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35256912E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.41664376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15100111E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34029736E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30901241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.24363075E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95914719E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09371900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06558558E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.19289443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39938364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02711578E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80267124E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59845287E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.40236705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.30150329E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10448257E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.65359194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00551195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62652422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.71693770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.54074873E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.22208092E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.69655156E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.87002646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54458060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.25362840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.22261820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.65934380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.92701880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.83876516E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.02107371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.68090110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.28692540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.29603130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.40044975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.34742620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.51665360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "80": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12672810E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63104578E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58888816E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13220619E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91576913E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94709159E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83403429E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.81695052E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36078259E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20557049E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13787944E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97929745E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20390326E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75583349E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.87771001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72914904E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45983627E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17661124E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38150167E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.60976047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17642828E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27058931E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05006734E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28231540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.94453938E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84298883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82567595E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64823182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.33379270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14392666E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72750013E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36139890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70072469E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25310648E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18804137E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.77648167E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71497444E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49387110E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89096220E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89054219E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63613074E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05322443E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38376896E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90028453E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.58546381E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04292940E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98058712E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00587099E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.26819007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83167411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55388868E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65092619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89106075E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81439876E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61219915E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07431384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.14216020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85426268E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55398566E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26791395E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27275305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93685375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95217230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14865006E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91251986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.47569618E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.70427008E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83952175E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.07648139E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40175788E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06821536E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.15735362E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63556530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40542860E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.70184897E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31006183E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43066231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36062067E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.54288783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.13594247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19819426E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12352900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.49787443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55187128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09750380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06326747E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78411369E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.01177648E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.56022619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22881251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.31199508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37344738E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84824523E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01483684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.53250722E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38191958E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05183783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.22555170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.69753240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.43682920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29806040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.98621820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.15045690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.99056248E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.83253203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.08197090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.41708550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.83042380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.51566351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.96388350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.60567750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "81": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08317392E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61959166E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55037393E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11756903E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85467326E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92058604E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82305138E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.77620999E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.34785315E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20245614E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13803407E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98934423E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21408009E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76558875E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00041468E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92250228E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75625842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38838929E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50798681E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.39234664E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64493482E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53503788E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17395792E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34404778E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30103217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08713322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95482347E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70648845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.63840443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41182154E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99435729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57107513E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.93730699E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80210667E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14776490E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15248188E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44027116E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63861053E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23254424E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26461019E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.14050137E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16087264E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.37180882E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19075911E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93342449E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.21124918E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53235797E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30024376E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20160416E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44177221E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.53191800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97402907E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11586230E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33259168E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66558425E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11668615E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20234311E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.85494228E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86846732E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13766076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14047523E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85342232E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66929975E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19941873E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30750579E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32345763E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.86406730E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33382249E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14858642E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02145799E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.96204457E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73370770E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.27334951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20225805E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23348598E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22883081E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.91065721E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95818357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27419197E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29102701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.29900666E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.08902776E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23435634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18977792E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.38315155E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67838812E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97031244E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46000123E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19190460E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.35358702E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.86621332E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.34716156E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60491225E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.29421286E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.46324615E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47514941E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38528611E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.73143104E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.26020945E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26950764E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12754633E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.34585170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84851434E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.80387560E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.18902870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.97006060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.71719257E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.55971960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.69419470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "82": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03920992E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60745089E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50560701E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09916723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.77129438E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87785537E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79897043E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.64376436E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28277909E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17378222E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12556188E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93460787E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19483673E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76553704E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00944437E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02343126E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77158135E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39375377E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50914233E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.33306502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51284790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44322020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13338228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33520758E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.66289355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38222437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99415411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87779630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14812985E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05688205E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82986806E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02009700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00757759E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76195404E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73209670E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.36179420E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57385946E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27215669E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51651434E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38991546E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69167353E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40582831E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04783130E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69525107E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16748139E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03300162E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.08426049E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.58100535E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34861189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22977303E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.96091080E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21115343E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24885742E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09098696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10045433E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37014093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35190917E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72037399E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38640900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43723532E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30981319E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.79468534E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16722126E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47172940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66059717E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94523129E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99471210E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47942422E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48210727E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12655416E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.36032112E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90442930E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.06947114E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59753456E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43838189E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33891512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.51614919E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.29820864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46927739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40562657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96399991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47266844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45146086E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29817645E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.64854429E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02082119E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14895975E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.54398069E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46831410E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09185623E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.01386845E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98309666E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43055149E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.36521457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.94695785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17364859E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20272063E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.62387444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.57433130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83923557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.42424682E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.12384386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51904517E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.39821280E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.18902870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.97006060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.72401449E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.54183020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.69419470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "83": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03279728E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60594003E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50023107E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09659438E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76143654E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87757098E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80294416E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.68441494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30762118E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18429093E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12934090E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95072040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20148524E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76415906E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00160154E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95642414E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96720913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58455735E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60682868E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.84446368E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01460101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79343442E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39126451E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52760043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.20872979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55740309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20235441E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91807846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17319772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.44630190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71155204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39027432E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18864596E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60259186E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10259750E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.25482293E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51279614E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99433630E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39784722E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34061524E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48671180E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31656758E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00691425E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.50505364E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07848216E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.90002640E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86642104E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46558862E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28558344E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87901309E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76206018E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09508372E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17949694E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66892149E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84609275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21095148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24827310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10832128E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00037196E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22846634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21256201E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.43653019E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14886756E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51587169E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16078605E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29139770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27388150E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64639539E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86670798E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24589026E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79811197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08586225E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.89743601E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00615172E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65206540E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45619569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.18294249E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.68616244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.70061415E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54602704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.80349429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.98217352E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76443173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49348569E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.02887499E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47148940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46379012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00171907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.36615290E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.59714224E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.64921518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67445405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76033232E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.09822722E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.89976220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72075403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52620972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.54854988E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.73159461E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53363981E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26389863E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.47623445E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75081190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.90011350E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.18902870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.97006060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.80941530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.71433390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.69419470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "84": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04328296E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60878604E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51104078E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10210157E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80329257E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91215357E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83148210E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90430630E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47126112E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30328519E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21383059E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52683277E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57601432E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99746223E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14186935E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69879961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98537556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43269855E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52179619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70210495E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28565464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91406006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39584593E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44913673E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99319907E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61426467E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49544470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17739099E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39471720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63080241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94222392E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61057660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32024835E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.27723529E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28226500E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23716897E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49958826E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.91977297E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35950468E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32435645E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43008453E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29715439E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.98523381E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46402852E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05702902E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78360770E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81001475E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44518465E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28266698E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.91437607E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81515268E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14893627E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22679379E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.05253391E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12721577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40705992E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37916628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.97328043E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56696330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55222864E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39354574E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40356778E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65339944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75549207E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28366001E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82593378E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59381310E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80336900E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22511021E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35633203E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.20206304E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25293395E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06543755E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37408365E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84078958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55763068E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.74759532E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00671952E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88587114E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65398832E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.42388617E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.34235897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97421678E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61452746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77324890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.06980661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90486308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19140848E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.50365330E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.77665712E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.22560061E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.91651729E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.87520688E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.69525563E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.22731107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.90760873E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63559770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.19392819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.11237947E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.75460404E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38654510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.93276104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98196926E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.97799800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.18902870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.97006060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.04617644E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.97230780E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.69419470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "85": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03754266E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60756732E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50756454E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10041425E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79170008E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90456184E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82735521E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.88381781E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46161058E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29792522E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20951378E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49079727E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55248237E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98455894E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13237310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60172665E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93925893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40215313E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49006518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.40009193E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96998212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76960781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33865293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52849989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.40280959E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92922327E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87060095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21779535E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34057291E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43093309E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65310412E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93184753E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48233685E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05065044E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74708820E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22514073E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49328542E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89373757E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34540998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31404445E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.36081323E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26034744E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.82867088E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40526138E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03556174E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.70312327E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77583752E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42669003E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27105258E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.84079236E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76931664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11949012E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20757492E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93043835E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05244136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35983675E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34978352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80762081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46674348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52117161E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39932798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.59663105E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90177578E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93158649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.32294020E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34091545E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84207970E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90349494E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45722599E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42827574E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46622390E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36209248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11502975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.61830047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96828161E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62690283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.13512832E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.22990118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.01862670E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73527665E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.92561226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.65332164E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16600816E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73092873E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.51050663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71596180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37613991E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38924678E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.35477920E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98321112E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88346447E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19004513E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00480093E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03658327E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.59179133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.11278761E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75423084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88637366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.51843951E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.99043819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51897674E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.47768462E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.31051189E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31429920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.18902870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.97006060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.39718732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.29660660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.69419470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "86": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84934165E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55727982E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33333278E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03305171E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50878878E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78018860E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77104887E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62907577E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35084604E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25359087E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19399016E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44611091E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54405149E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98693863E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13855932E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67235242E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98905662E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42176482E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48676183E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29569389E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01235807E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99157956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59355031E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61594539E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02237996E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.34497875E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83634273E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36047288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51919804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.79563636E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55280780E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02733349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56487403E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.54954093E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30658080E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09240457E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46936254E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.86720524E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35477829E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32396748E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42092331E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29295561E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99199500E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48036474E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06909770E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.85614099E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84751958E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46120100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28839840E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93309266E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82182386E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15113062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22774645E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.07023034E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.15260238E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43122062E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39823737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.14689657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69761160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66798036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49531338E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19507828E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27930628E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14215694E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04280197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87911534E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12901840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01991605E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.72386419E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51266655E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.78445447E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49739625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17779568E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.92974342E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13099639E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71566635E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.63621636E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.51936974E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18980829E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83803620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05361722E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01789626E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38275010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85761810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02859548E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46214376E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.89531825E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60155240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.17310010E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.19499697E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05625936E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.47320067E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13869326E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10574209E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.96871492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.32577946E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.87797546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06118338E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.94541468E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23924781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65912723E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.05049919E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.71497957E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54437450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.18902870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.97006060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.80566833E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.50995210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.69419470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "87": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84371051E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55579549E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32804397E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03091859E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50374715E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78346398E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77878242E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71715150E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43144338E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31937946E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24426665E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80445190E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78334722E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14099476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24157665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48288736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74581374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01821968E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88385030E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16651426E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.27817685E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59110080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86915853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78061408E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06375341E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41350169E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81882595E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20757227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27918777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10988809E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81255367E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99335420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36807871E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64346524E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93503774E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80372852E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03189773E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16755975E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22147330E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55079174E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.26438440E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.53690582E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40633248E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.79331856E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46076546E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07624065E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84746946E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24894912E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07494095E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29710662E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69154441E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40902363E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.58236274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18117168E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35483755E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34426216E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.73036219E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53285594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65146153E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53257454E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96446508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.20832153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96110393E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66122030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10335099E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81569142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50864374E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32930773E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.27408686E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62763803E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94357307E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06374849E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.84105995E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77706328E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79786056E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.54421545E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08970031E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.91486282E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38806410E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58918637E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.98166481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21572630E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31522688E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30987202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56950813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45716053E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63739717E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54682097E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.10892022E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.32796809E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06217039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72483547E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.44442640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.10584553E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17398439E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.21833016E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59769998E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.63258645E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.34078214E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10226551E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.66855413E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23464869E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15729150E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.26185896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.49925762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98336061E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12580788E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.34305699E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.48321822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.80666069E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.89910254E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.22402675E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.43923356E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.02175930E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.34830080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.57101590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.57575128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.51580070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.77165550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "88": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80637454E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54565391E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29025534E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01398728E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41000586E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72227002E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73398013E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.38432731E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18930089E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15030901E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13167503E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.10126100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38022357E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93752549E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16223063E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.40413801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89271964E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09255096E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90334119E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16206957E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95240013E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40167821E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78644802E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78880794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12166955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.92917128E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12676255E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41587287E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41536909E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45176626E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75433310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68840517E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44084048E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84189642E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48703242E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42385115E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29575073E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91156101E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31827787E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60897690E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.52973280E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66006441E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46357061E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.06134752E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59031281E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13994974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15889275E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40030618E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14898220E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66416364E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87641684E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50369857E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07490645E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44133487E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49507777E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42139656E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16491585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78111968E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78911707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59908919E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27672688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.34249846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04270430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71987994E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.54053376E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06049878E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67964283E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42812749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.24735719E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70583929E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91076485E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.85825613E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48807969E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63637719E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.44716749E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67602081E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00843141E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28453851E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98976819E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.89671892E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18688564E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.83004111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59408391E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.16976006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.36923361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.15999778E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84906374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08273662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.32060758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64577233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05532075E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13212790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.08442864E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64445375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.84867005E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.23362843E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24392868E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67450726E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20816203E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.10267058E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.43590380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25894179E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.80369927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.79815519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15428241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22496912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.92413494E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.82010169E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.99469002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.76106847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.71576329E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03726185E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.25674441E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.55271870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69360440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.34349907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.08871430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.21315834E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.96196300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "104": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.45971372E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45277067E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95589869E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87427357E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77491260E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41875952E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58684788E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.67072072E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85745371E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01242429E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09863494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49369432E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32805196E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75165842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62432299E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.48726043E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60818993E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35050623E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00685958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19873509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36322132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47397460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66290353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71368848E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09968864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.62332857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25434932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71896249E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76787141E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91893278E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.62245397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12840627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68104897E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86618595E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66944138E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40726651E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11539275E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.97543058E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15716432E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24972927E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.12608799E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16582238E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.39527408E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.17296069E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89445241E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.77988939E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.15290693E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00545299E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89963280E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00515616E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59610000E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38149056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53126752E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19843225E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38043987E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36827280E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.02165558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71161106E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75774609E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64586005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.76452114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69866732E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28431927E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86420837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05649370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00091584E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39968855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90788120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01487179E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27128262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69365094E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34013783E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39316151E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.12287133E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85103885E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.73082876E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09975896E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.66024218E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.91198361E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89727383E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.72037069E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.19357011E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87049422E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62482500E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.37938274E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46442030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18523754E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86743573E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09370867E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.30908807E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54225099E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91968284E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.86797233E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.68566135E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11061498E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.05738045E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66948535E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.65825577E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.39768115E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11525306E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.67292481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.22162592E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13265535E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.04466398E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.29801869E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.82037167E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00408899E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.43369996E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84740674E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42594119E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.67971938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.80557568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19865127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.10687970E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.74061520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.24550720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.28230330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.05819880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.71757250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.88483390E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.65124730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.25566260E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.31336740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.13524270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.35804970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "105": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.48201058E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45839431E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.97243937E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87884252E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.78509755E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41895007E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58547563E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66246697E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85504750E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01182174E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09683385E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40495028E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.19081632E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72840331E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64620158E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.72211688E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73797828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42450512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07295190E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27154060E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99891549E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95398844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96575131E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91313087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21884005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64699481E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73539475E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88065731E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71030365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.93333671E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77147473E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34296094E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04639062E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05326780E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37466641E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70246458E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22351839E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28348255E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37798186E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36856093E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72736429E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46452015E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08680929E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89639200E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25034203E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05398251E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02954172E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44617978E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21385683E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.15501878E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19379644E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69676784E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.21860425E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11425253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88640686E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65171375E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.60373313E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63349012E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29934342E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96079604E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17347050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93283396E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01901444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28835539E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26200195E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92360331E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74914496E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98794418E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05333582E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54235488E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86377054E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42362834E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81075959E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.20758469E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88349036E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.83357432E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13485612E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78335066E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95467280E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91326925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.79197118E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.23238802E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89447010E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64046400E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.48251960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52785055E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22131382E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89060790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10794937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.39081471E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59301360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95231451E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00583669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91349583E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28672321E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01344722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22744429E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39860602E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89340694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27213020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.32062111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.52682219E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29072634E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.90467043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.79000301E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.10534277E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17354346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.45216777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.42980502E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73912411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.18764702E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.39295395E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39909052E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.67950310E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.27933900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.51985130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.41803270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.53173600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.17967740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.29031240E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.00520310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.44502000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.07989640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.36459280E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.66139900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "106": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44306651E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44803255E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93619198E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86438395E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.72137771E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38851120E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56979902E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.57570965E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80158923E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97348014E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06418075E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07535116E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91461294E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61932832E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59370347E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41298089E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59711467E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36983861E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05545789E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27666466E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.06114934E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01770714E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01567875E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94431003E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24540150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.21107798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15215962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17914727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88993439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11859288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.43641290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51855356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97685459E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03733543E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44054872E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79881230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28607752E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27620868E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39028684E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37968488E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.79810798E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50290999E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10574052E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98641575E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29282247E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07366868E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11871372E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48664798E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23283977E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24699591E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23910466E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71936945E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.33405454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17547124E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.91971029E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67176178E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.77614838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78615135E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43081630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06268084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24946157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.47321769E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39744629E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55098345E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44302711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08080291E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45635704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38722015E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21119972E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07334156E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03611956E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48540597E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65920123E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.15409231E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87038318E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.79029974E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11888521E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.72153402E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92829105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90053277E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.72572898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.19884897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87877740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63400192E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.46375914E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52504149E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22194042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89594380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11328146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.43180389E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63022484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98436482E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02875500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12331357E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43748428E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10514040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.71169071E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69399665E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.28955831E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39563165E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.82563777E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.76305845E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41262994E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.56651346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.16850124E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.32514262E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30454962E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.23776632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.88214729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98934605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.47786994E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.98435704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62225990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.26543170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.82445660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.79605680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.55396640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.76948440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.61174920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.47705550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.35736760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.63410650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.87616010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.58267420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.96614700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "107": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38087103E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43139197E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87782538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84111335E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61848488E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33990973E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54553752E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.44845948E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73128282E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93232282E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03689590E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83424485E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66344976E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51394996E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55986729E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26949080E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60157935E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43095111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10472302E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27587615E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.00911078E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99699561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11152246E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04652189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34468406E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86593700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56826804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41276143E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96206854E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16914142E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77732332E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87008918E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12977038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13874394E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98853433E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06599422E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40911682E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.41601473E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48617304E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42984620E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04319189E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62300194E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16607723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29355507E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44932956E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15345912E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52616083E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69469722E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33900382E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.79148775E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52197827E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86895872E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01400605E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61833948E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16923472E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81504336E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05968761E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27000998E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71348935E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22332955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34606879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.03222188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70235819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70870426E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51413153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37775950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53127761E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37188036E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20757112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09607425E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06835377E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50505939E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50826379E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25732048E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89078310E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84946964E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14028198E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.80448289E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.96415629E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91822076E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.82038620E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.25146118E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90835205E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65091372E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.56504142E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.58649512E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25906629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92134884E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13006066E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.53680661E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.70242904E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03655314E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06490529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37740289E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59755195E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19616704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.17587366E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94149668E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.62593619E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50308567E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.27380568E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.97454580E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52170465E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.15651511E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.50388945E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.51911949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41969507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.92526591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.28057634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21417901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06796329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.56898773E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.85350008E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.79137450E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.37971300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.07581950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69096900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.88770160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.03980800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.49806610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.70896260E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.82354290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.68596620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.77661490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.27273510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "108": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33269623E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41851417E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83268372E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82318050E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.54099166E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30477679E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52929369E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37356296E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69817603E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91879784E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03264584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85198023E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74773856E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54405948E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55186768E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16054784E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51401938E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37400874E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08750776E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31115890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35357781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26866244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26325371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16866319E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41004686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72303455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51599702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37675879E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08066643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22202827E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34117242E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35468451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30901222E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23322316E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.50849182E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34128974E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51496815E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.32558353E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43810001E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40848826E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.95180081E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.58243045E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14620015E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18659046E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39042751E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12203808E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.36441752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61240540E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29692845E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57387226E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40746952E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80729469E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.80046315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42782244E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05982411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75229867E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02348390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.03259619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55051710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12253603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27547462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.56428591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42520750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55567610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44020629E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99628812E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32397680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23440848E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13579586E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75133443E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93160698E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46599600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28418812E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.61082747E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97163167E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.09272802E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22551945E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.14110391E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10984399E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98633142E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01599233E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42985895E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00646273E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70686814E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.89340908E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.78325035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37883655E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99543036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17621890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82594027E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.88239844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14868597E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13375706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77919293E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81695359E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30867606E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.70614201E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18371696E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.95845653E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60576278E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.68803827E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.16708418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62087843E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.69589193E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.81243689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.69894774E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52675721E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.56323870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.65189758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.42630398E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18377640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.15030549E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09013101E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.46382300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.94805570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.36037060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.82962850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.94657160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.47700620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.07527960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.06089820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.01377970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.49687490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.00918740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.58155380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "109": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35477948E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42425298E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85073488E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82894279E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56031660E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31088246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53074373E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37080431E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69206830E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91663745E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03935295E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04140768E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94101657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56370723E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55195065E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24359501E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55475860E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38025689E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09895711E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36255520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.78863358E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52626730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36054257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17140783E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39704603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.33929881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82691970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61827476E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15134839E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30739224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75243499E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51275426E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63479795E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41920868E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36041219E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68802643E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61967065E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.48006000E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55092594E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47009910E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26593635E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73989099E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22529921E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58650128E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59170756E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22190178E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85526992E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85505383E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41889116E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19798356E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73211614E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97914836E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07276890E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.93870073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34869396E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91668183E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11578146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56743955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85973189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29621374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37655785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13789707E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73541932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72428035E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53188993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46635783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53510826E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30091525E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14076172E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76111994E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98548630E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51012149E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38107414E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.17486083E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09710625E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.47059397E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.35989800E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.67555707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33862604E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08962654E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06540434E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.68010879E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13953401E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78012166E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03061016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.02053597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.51826932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07844566E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22627777E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12884239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06691699E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26246422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20283487E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.17418477E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02984495E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41764949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22202021E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47485926E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.27363523E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70381075E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.08724823E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.35300194E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71614036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.21050686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.10431960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.86790524E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62678574E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.15807475E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.00018295E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.62803706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29622784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.73130264E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33139137E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.10230640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.05319710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.65066650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.97037890E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.09769260E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.93365800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.19834210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.41388270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.20517740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.30619010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.22574390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.89294610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "110": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30790073E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41178380E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80722313E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81152422E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48200978E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27280674E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51137241E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26958422E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63682414E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88318618E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01460230E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82599136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85010707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55613261E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53518952E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.06034996E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52389804E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48598262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26273664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48192341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49218137E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89522756E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52081241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27519042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47398207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01212820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.34978384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98570897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36186210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44065118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58616473E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07113026E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76601076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47284221E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.67102624E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87202974E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76788003E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.56767129E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59815913E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49176224E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.36225556E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78361874E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24556053E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68302495E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64005873E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24729792E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99060779E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92620332E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45577396E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.39082729E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83491978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03450316E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10273535E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10298882E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44044885E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97084568E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15095596E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81030138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03337528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41832707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46536534E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.76333242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.16559936E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01656733E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72178445E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.66664388E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29997901E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81569298E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41687474E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96883625E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40532021E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62899706E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.46060038E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00490181E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29741144E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.08289133E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57989810E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05606975E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.72776544E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27361906E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15753844E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.16182727E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.40062481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92576284E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11340668E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.50429554E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80839128E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24864464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32800129E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.74500760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.42566686E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46982695E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32177162E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82085010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35843742E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57250538E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88647200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.68271890E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.57413318E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.79726212E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.46792982E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.53064345E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.80729002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.70399757E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.38453473E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.03046042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.72315472E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.73205155E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.33804247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.82549268E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40760720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.31551503E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.57727957E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.76354280E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.11339070E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.94753580E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.11355660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.19949710E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.42041280E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.33156160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.76844660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.39793820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.10962200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.44286260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.20718440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "111": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32963330E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41739348E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82465082E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81688027E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49750743E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27556012E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51045074E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.25492477E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62692302E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87921293E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01528250E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85639221E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85602993E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55479559E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54208281E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09178461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49695883E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44862684E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23941946E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45327487E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.42652522E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89988043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50545010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27639863E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46622500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01751391E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.33666160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96490590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32459114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44148354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62084423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02501108E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02173530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61951163E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30567041E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12630953E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87841022E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.64035460E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67539711E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54120168E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.63766306E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92907417E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32079851E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.06807205E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83563724E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34659656E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.49771151E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18656967E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58946423E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07478064E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18504607E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21582578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19855066E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.62105175E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72828313E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13589614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24987371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45146995E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45918639E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69200228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64981508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96198520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.91865076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48501236E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00814313E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13398132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23044305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30056071E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60850559E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.64977666E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62158027E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69239534E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54199716E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01102172E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31959730E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.16361322E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60722075E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06490935E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.75930237E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28674177E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16330175E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.18666491E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41119063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93047679E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11605941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.51860397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81480198E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25634226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33428798E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.78775550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46649120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50660604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35129111E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.02220029E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48570918E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64791602E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.28891144E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90205073E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.87763137E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89116232E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.84779561E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.70663049E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89694015E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01865253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.65687769E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.18775230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81605888E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02845292E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.66432202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.01796245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51771310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.90404148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.82760263E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.54675050E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17559820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.25165600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.25944750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.30142680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.95469020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.49761150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.12505460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.59233500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.91003120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.69315830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.52452980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "112": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28348976E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40500323E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78082602E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79919419E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41844044E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23756166E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49085023E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.14545754E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55935593E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83304454E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.79256875E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50286995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48192450E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38338824E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47319109E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.77046508E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35314782E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39833265E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22760060E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44415827E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36454097E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93554622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59885499E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36308348E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53009368E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05739052E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99755409E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45664074E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59941275E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59387103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24871674E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.20059377E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13181760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70060631E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79908964E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38774122E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99585090E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62254239E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67351088E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54267713E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64652737E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93278966E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32192978E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.06838514E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83439975E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34635907E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50176263E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19117104E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59227363E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08826107E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19212664E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22045165E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20180315E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64417067E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74449587E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14489856E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25084340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.39299969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.37063871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61453565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58221789E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.43617305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54424193E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22859365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83196222E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01548816E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.45665731E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80743078E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40453853E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94444049E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42238079E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64434980E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62530847E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12641028E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57143981E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.90755626E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86941813E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16948288E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.21329700E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49726094E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26680872E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.72058114E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69747256E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08869290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20507178E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.03358308E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12054118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43347384E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43941821E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.42314879E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.83670490E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72158764E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47396736E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68168559E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81692311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80289488E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.95273237E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13931454E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.17203182E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98173822E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.21312396E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.87588980E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98319291E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06514404E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.91938275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.33941180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90557653E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08169625E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.98022315E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.20617398E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62686943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.49799127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.08241165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.35545550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.24006290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.56372870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.40830290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.40619090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.57011180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69058970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.48406170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.78852700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.71092530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.94737170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.84523420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "113": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27196403E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40181172E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76915925E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79430975E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39815540E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22955007E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48813092E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13670521E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55206807E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82164857E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.62298159E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22953390E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92147343E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67361987E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88208746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93567253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61256521E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22237016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39805397E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85855904E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61491969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55467881E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43180164E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64040194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12017162E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24649384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60033228E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59484257E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71841941E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08733039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36593759E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71258074E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29886893E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11526856E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01964399E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02242410E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78822227E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79251465E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60979217E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.00506570E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11991699E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41855244E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56646361E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09019500E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47681051E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16130990E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52296712E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76040809E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95561770E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64866537E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46519716E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33528492E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38531948E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16586933E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38862032E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39245047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.25374353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89609360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92614557E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77868026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06613145E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.28508530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68624509E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12194485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19933177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61340776E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51823441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72049802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13589190E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81167733E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75663167E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59436390E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16714124E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.66916817E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21164227E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97833395E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21242639E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39607613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58130105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30861623E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.94343971E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.82295013E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16242539E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24984606E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.31451415E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30119781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54951252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51544014E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.92648999E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.16215777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93198011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61038598E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.53123860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33182672E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09880286E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34384342E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75109060E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.66784641E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13455133E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.83105889E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.16214588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12935368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14399278E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.36596446E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.59859044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.05940889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17436154E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.54501004E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.55573168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84637679E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.87587823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.73547013E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16249082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.70279140E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.56108030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.48076710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.40439630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.05572810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.20311650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "114": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26033797E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39861654E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75619038E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78781943E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36271088E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20940507E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47660635E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.07431758E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52631940E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81906673E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.73215188E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42119864E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18800440E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01508625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36424516E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85520434E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72596203E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62189952E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24697245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32834569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20140838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08075010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31631115E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26480640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49018114E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.32444366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63329153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.14759330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19116357E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36044159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45721060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24430169E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56942043E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25619421E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55232207E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42215460E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.71686810E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74532433E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58527086E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88873651E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06645977E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39360764E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44592635E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03101177E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44838769E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.03168972E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.46705483E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73705835E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85790925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60557843E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44367888E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32305040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31531519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12995646E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37364697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38977369E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.25862051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90657956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93087963E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77481973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05691523E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.21876676E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65091628E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12745834E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23561840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15215577E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03290889E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07920174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01708236E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82197574E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22215679E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.54995000E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24588240E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84906635E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78025433E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18705384E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29691001E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.76369597E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75087939E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39062891E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.35540610E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03779425E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27934635E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31616835E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.71117594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54825517E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.70176626E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61169459E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.53741366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.53846630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16557103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75695437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.42412193E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.86065188E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39010364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06334671E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04850930E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.97374160E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.22900735E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.21249703E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.33899326E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21940907E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19257744E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.64054411E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.75809214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15442287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.23219110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.90479978E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.78889544E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00313700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.92431016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.28863198E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64962588E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.21930980E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.68512420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.21322040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.41562200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.84745690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.31532480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "115": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24911974E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39553632E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74440734E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78234057E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33412453E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19286823E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46626125E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.00439183E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47609955E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78335897E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49346305E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27963478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16130723E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08713492E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36289221E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50071675E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49964280E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60178408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27387670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34457367E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.23908379E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05250060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30429246E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21291361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44784260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.35071470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68943819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26438607E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08357640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25477219E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.81432891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54863722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64221974E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37176563E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.14006031E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81644620E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85958919E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85210836E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64516561E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19261901E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21611493E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46698725E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.80711749E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20962760E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53668391E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.46558964E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67953739E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84065184E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.35772192E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84695318E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56403755E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38684653E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.67743193E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34883152E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51336173E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48260944E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89476072E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32898726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19974406E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94895519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16746630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88254306E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03845438E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33493378E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33543728E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.60463468E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30204003E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29863045E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16588245E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66269622E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63584306E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.14115010E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26167483E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86623031E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78557699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17917223E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29058532E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72578478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73182164E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38169477E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.31698941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02355784E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27480958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31508533E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.70380044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.53880226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.69940113E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61142365E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.54570638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.57377187E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.21004120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79994676E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.77276302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.11396721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54685635E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13037590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45034450E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.29160971E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.32630148E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.60235385E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.51835799E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.30999477E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24103456E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.91175637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.91402590E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.24626977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28744995E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.24474052E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00883114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15336038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09445192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.82415648E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.72630012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.85399940E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.80718130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.92753000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.35089970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.93020500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.42556390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "116": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23799264E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39243286E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73221874E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77654820E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30361696E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17550479E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45627386E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95052171E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45135157E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77399324E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45016585E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22044631E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01773055E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84961315E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24104198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59874466E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75488016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70799507E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34424619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46206219E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.44923485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23597524E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06634763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90453402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91962782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21287140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.55527084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76212099E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08903042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86070937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07350022E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63436145E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99741663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49319761E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53593169E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98564610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95283268E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92544355E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68890395E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43198007E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34302600E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53313566E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.14818682E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38429639E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62592154E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.92426176E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91704662E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96476567E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00207773E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21092833E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76757524E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50146919E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31966562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70443277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70741286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58723125E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.48902770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68018302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40914977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08355329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25576715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.47618060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46042724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64115336E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55375259E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02077303E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07917555E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66032301E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33259718E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.45491010E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01679730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14742890E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39359689E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17890374E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.72932834E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.51219359E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42255879E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.29399898E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99220276E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50820677E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96269237E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.36646597E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46374386E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42203929E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.33368684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91983532E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92291987E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74763209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03943489E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.07649384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.50858263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97696303E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08142891E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71221099E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86471548E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26597270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86171370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.56966134E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.41096043E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.93912208E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.67277691E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38790675E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28287391E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.14744191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.05083219E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.32785505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33730647E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.55766996E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.21695517E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29985956E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19523675E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.35074608E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03550735E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.03000710E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.92867370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.63235400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.49813260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.05355740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.53469770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "117": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25924042E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39786639E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74856617E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78116779E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31532502E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17731863E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45570946E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.93830899E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43691468E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75966225E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.32921669E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12878219E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98100204E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00438650E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43170464E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84763220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46049200E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46987096E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26498640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44727104E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.57744976E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.42001428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33513402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84369578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85078189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21733914E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59651688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78373460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92185735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82054393E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11983838E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.87400090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51783240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73895855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53124545E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31584560E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.93246819E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89712442E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66943502E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31554976E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27713614E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49736978E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96070208E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28752702E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57544646E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65176570E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76554718E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88023194E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.54900475E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94360639E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61315371E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41145997E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79694086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40153287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53306745E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48995465E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95792122E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43943689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37144210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13163157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32966028E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13703554E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94917227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95267920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74192612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00892452E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69421784E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01956499E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52524012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38304128E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43311967E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39600170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32297364E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.01410573E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.23876746E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.33631141E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35134132E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.98288898E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84773093E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43697264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.59249954E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.16481893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34908042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35585871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.93428876E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67303882E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78548689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66653603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.90368697E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.82324837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38748080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93312913E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06912481E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.69840840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87485417E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26036933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.86512290E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.87052991E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50204991E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02993794E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.83696914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.46996228E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32635146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.38892678E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.18942948E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40986042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38706840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.86604040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.41990975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.44385042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29548185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.87285453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27770312E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05298970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.05050050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.33302170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.54121580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.21283130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.64320680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "118": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24854746E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39495779E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73765924E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77625390E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.29100862E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16380784E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44752897E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88591249E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40160683E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73417123E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.12592703E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95335065E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80074865E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70828513E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21733487E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62943305E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64966578E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58140072E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25880184E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47289887E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.82329929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44618236E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10574543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72635178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81140109E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21460422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.45100752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49058231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95347603E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83892540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16166488E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.75425819E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66995155E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85479420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13633895E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70095500E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95852932E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92231113E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68599722E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40624713E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32279378E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51963552E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.06722550E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33736752E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59921303E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77594264E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83692071E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92222193E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.79057721E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.08057925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69240533E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46023844E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.11773863E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.62080977E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68465450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59444659E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.67099966E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.90306127E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65442581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30463929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43239383E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.73188672E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30197846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16777708E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85750803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06303456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.89913886E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13360961E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60458662E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93676508E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75337574E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69842390E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71465154E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90028353E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19206574E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28988008E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73011158E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.62404365E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.61015158E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81113222E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.51191306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.19089158E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92040197E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68117510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.85063897E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.81536027E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43464918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05160436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22036083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.10581277E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09943134E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31660744E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27389211E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.77011148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.40324762E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48286099E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72395790E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.10550500E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.57520427E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05972300E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.97735881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54313815E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36712631E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.62608209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.32982910E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49364857E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43733765E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.17195337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.61890960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58634757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39572680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.39327270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.63147721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21654060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.17330660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.00333260E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.58516460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.23424650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.75149780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-ae2z.1.element.json b/basis_set_exchange/data/dyall/dyall-ae2z.1.element.json new file mode 100644 index 00000000..6f820232 --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-ae2z.1.element.json @@ -0,0 +1,600 @@ +{ + "molssi_bse_schema": { + "schema_type": "element", + "schema_version": "0.1" + }, + "name": "dyall-ae2z", + "description": "Dyall's all-electron 2-zeta primitive basis set", + "elements": { + "1": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "2": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "3": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "4": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "5": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "6": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "7": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "8": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "9": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "10": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "11": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "12": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "13": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "14": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "15": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "16": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "17": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "18": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "19": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "20": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "21": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "22": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "23": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "24": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "25": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "26": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "27": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "28": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "29": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "30": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "31": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "32": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "33": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "34": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "35": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "36": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "37": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "38": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "39": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "40": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "41": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "42": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "43": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "44": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "45": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "46": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "47": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "48": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "49": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "50": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "51": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "52": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "53": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "54": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "55": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "56": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "57": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "58": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "59": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "60": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "61": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "62": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "63": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "64": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "65": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "66": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "67": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "68": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "69": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "70": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "71": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "72": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "73": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "74": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "75": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "76": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "77": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "78": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "79": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "80": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "81": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "82": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "83": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "84": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "85": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "86": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "87": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "88": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "89": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "90": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "91": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "92": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "93": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "94": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "95": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "96": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "97": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "98": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "99": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "100": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "101": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "102": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "103": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "104": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "105": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "106": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "107": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "108": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "109": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "110": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "111": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "112": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "113": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "114": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "115": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "116": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "117": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + }, + "118": { + "components": [ + "dyall/dyall-ae2z.1.json" + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-ae2z.1.json b/basis_set_exchange/data/dyall/dyall-ae2z.1.json new file mode 100644 index 00000000..d4cfa193 --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-ae2z.1.json @@ -0,0 +1,98000 @@ +{ + "molssi_bse_schema": { + "schema_type": "component", + "schema_version": "0.1" + }, + "description": "Dyall's all-electron 2-zeta primitive basis set", + "data_source": "Data from https://zenodo.org/records/7574629", + "elements": { + "1": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29687389E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24571508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83382422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.00164139E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58629441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99766770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02448897E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "2": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34522333E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52200252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99840299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21385929E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67371603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09005872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27228449E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "3": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35511989E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01233011E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13838273E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21730657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04340051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68402247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36667189E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17762820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.44368272E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82023810E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25548696E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37071123E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67290922E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19202868E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.47386748E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79497017E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "4": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40943779E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.54789411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16522522E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11703084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98836699E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08885657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68769158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04861275E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80904262E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86686838E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31800101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96193922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.48448593E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84445860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02251455E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74948730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71217265E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "5": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31890933E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38381575E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13231718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83973383E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87378723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02925898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97389889E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61011130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27059892E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02704305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25301829E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11445067E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50095842E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09574383E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81570551E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48912221E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.46511210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "6": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.42995851E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25053402E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82743110E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96080882E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56825450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02650296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32774491E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.06582082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.65254808E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28879080E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40303695E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77836858E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32153370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93710219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79198301E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.60203767E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52361971E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "7": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18811750E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75538845E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95938764E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11307086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58959691E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26367612E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66951503E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29793688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15279750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79915698E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76179541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09319427E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29673806E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12932532E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93173563E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31750516E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.26922465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "8": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59925081E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35199842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29060079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48462548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78417313E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68559662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23711537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75808802E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90688830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39078229E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33409745E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45830479E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42797374E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51782600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24175730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72133105E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17766132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "9": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08122193E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04524252E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82912687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91245323E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15619638E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16954416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03372746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28806696E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91891561E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06490573E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.12382078E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87382214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71665823E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95959041E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.72331544E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17227007E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61811961E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "10": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63937466E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84039579E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58347380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39831047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70985719E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71659873E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00621973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88859221E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11904975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82176942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01356529E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34055004E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16482787E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45525847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37825292E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67057270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16640868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "11": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67792806E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30926008E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18110639E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29023939E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05644880E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72817927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39450756E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79319847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75439259E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05162152E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36878648E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63828723E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32237456E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51036063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50295268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08283663E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79319715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35313127E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65632696E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82262627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.51878594E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05385167E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96645265E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77612840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "12": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04215416E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61269535E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90202674E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27577646E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69320161E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01840839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31731851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45704001E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63556906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99737371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49554207E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07697801E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01639940E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07387988E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81457930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49657424E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30731907E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94280859E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97272353E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70895143E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30355053E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89852331E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.88167943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.64065990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96440169E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "13": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22157890E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15957649E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54453086E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02795217E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24966679E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99049065E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07705104E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24983416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36586330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18932643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75866307E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.51081752E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70038076E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26443560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95414963E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.98745273E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60395194E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.65061208E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11056456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00913311E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59260115E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.60503944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93201508E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "14": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04052681E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45312628E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16940829E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71719057E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78191231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.85902809E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78633488E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52888958E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12846838E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50246568E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53084395E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29886769E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30667196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65812543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39331074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.59974926E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24463955E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23477396E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95467725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.50710464E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.69343938E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27082421E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73978756E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "15": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27817378E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76768640E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83218251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04954834E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33885131E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18038894E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52126521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81818021E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94970020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84448181E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39615003E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23961699E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85869276E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.91826403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78899440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00455314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82167337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48745844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.87903897E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12515635E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.91044365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62994079E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69960709E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "16": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54184920E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11164907E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54982671E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24071939E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93423320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38737228E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30098147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12522226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83532969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21651914E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35406263E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58029412E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28066668E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.87268972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08585687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11045374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23339093E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66758667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77518751E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40320203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25972350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02143833E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79833420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "17": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83564141E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48976149E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33136839E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44747214E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.57469222E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60909254E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13372865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45295705E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.78828036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61928140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.40489018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95237127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56419165E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05052504E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27850628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17457206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45062217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71836439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49194218E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65501477E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.76746292E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45212555E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.03155407E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "18": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16279421E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90551539E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18297423E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67123592E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26420305E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84680306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02381594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80283299E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80955209E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05293044E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.55213131E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35714250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94782136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13634523E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54180102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26478698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76934758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76329840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10804371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89399130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13941141E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92464004E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.40546739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "19": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23346796E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.78476932E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41007573E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74788004E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16599730E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05465044E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53274876E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20131036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63465610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.55018881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44042570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30864665E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25541111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36798580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.65017574E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73826462E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03617736E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34142339E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31765579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67450904E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05335610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.29680817E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62260554E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.49320351E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46107895E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03419230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00020592E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45810706E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33804190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.48574732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26087470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "20": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.34294030E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13143411E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67647924E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42972977E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37198760E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75488067E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79307628E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24040898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06589921E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.83698689E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99960282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02591153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26117505E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90013300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38002180E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62961267E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23652780E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77429159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65134662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16262220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25001464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13409405E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00760068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36741186E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38755227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51056920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65373635E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63106572E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52194890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17820740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.60158330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32081131E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "21": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41738427E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41903536E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92827163E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06799578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56326832E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.40053480E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03153468E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.18667139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45940709E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10873565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53794521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18968284E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88489833E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34482262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99786157E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41560858E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15608323E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.81845628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58716811E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41994709E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85244917E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30219949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62543439E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89583018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.70145162E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.90398015E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62427201E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.20758110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40858597E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.44899597E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82410274E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.53918207E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67825538E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56595129E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "22": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59904355E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08220080E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20028703E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75260006E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76723021E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08559950E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28347658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.18272879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87263457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24079581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10726653E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36310175E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56585945E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.24167204E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28581932E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61958016E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58601463E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11258571E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06151204E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60978595E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.65524465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63172933E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10063824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43368165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.67287916E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14829776E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29035248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.17650142E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.11099408E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11587274E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.82718064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17759016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.63676263E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.94276261E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "23": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88945906E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23425746E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49284481E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.48400250E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98392083E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80999884E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54881562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02281940E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30549952E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37962197E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70502486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54357352E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26362284E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.08933533E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55165196E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84096929E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04700751E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25192313E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56525911E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81103948E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50516525E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97932486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24507161E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98934917E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06109796E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37588688E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90307539E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09812314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75717304E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36290735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.72656672E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46226594E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12966362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37468827E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "24": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13028951E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39955009E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80844948E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26777444E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21482853E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.57828283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82909620E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13287460E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76010543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52556093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.33261976E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73185288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98426107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91906655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80646451E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08104978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54076516E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40023428E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09946664E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02404678E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.40339167E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34548422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39626867E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56570418E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15351730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59284618E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51062513E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27670271E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.39818271E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60665713E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.60393079E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73545369E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38970422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58091600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "25": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28370853E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57820120E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.14754996E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.10516328E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46032619E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39168162E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12476279E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24861157E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23713606E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67879038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99081857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92838823E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.73109324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07456911E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05540352E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34126497E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06925595E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55796435E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66542088E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24923598E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.35147081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73085093E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55460820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16468603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24546143E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80219437E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12813486E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45797905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.04999995E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85361104E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.48547948E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00625150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65856471E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.12155006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "26": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45118707E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77207145E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51309328E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.00232712E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72195739E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25460851E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43720718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37049897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73815093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83955383E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.68057226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13353205E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50648558E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15781677E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30156473E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62313779E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63451752E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72556586E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26440696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48702824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03509040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13602691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72039836E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78768226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33743008E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00564974E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.76232139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64398947E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71964740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10661955E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.38284663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27876313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.93871575E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.38275692E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "27": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63169276E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98061435E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90449256E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.95826795E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99949339E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01664042E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76620883E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49845945E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26291290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00793207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.40226850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34753759E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31195123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24219131E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54670077E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92826743E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23865315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90349794E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89770932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73783918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14031561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56159224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89390789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43578317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42972100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20428236E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.41679402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83582327E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.41084226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36718561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.30218453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55517128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23165872E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.69000695E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "28": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82911991E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20714124E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32667681E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09828082E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29530185E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11336562E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11380359E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63316080E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.81355257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18420147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.15694845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57067226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01489878E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32809399E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79211720E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.25834127E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88385050E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09223050E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.56662322E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00208212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25096660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00810415E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07537752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.10989742E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52252236E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39880648E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.09375498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03413813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12580302E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63619982E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.24713618E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.83677235E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53914356E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.98353350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "29": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03758978E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44746199E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77407344E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20655163E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60695703E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21497665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47798474E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77395399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.38806261E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36827462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94440489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80309215E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10183453E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41578813E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03854960E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61513789E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.57239731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29224971E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27247632E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28017782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36718929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47612718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26503830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81083339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61595462E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58972602E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.79468770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23937001E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.86598286E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.91424038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02200580E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12440496E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84632713E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.99320662E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "30": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26747490E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71105177E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26192938E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32395406E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94321251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32412700E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86763519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92399027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99734993E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56276938E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07796221E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05767637E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20579026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51791203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33675189E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03597448E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37444683E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52380423E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.08688578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.60076691E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50132696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01872232E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48276318E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.59036439E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71168243E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77340544E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.94217597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58060338E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.12281452E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41834351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22183430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85370795E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.29706214E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.66610901E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "31": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53393780E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01895586E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83285650E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46132080E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33631952E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45157280E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32161744E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09781232E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69253704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78236187E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17396176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39595177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36900330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01619295E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35445663E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.12265211E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04125569E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10993408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11520023E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42424276E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85498567E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.69458328E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14658456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19940686E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39820927E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.51562571E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23474619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.60838769E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29999784E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.07899106E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95065344E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.96231835E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91389544E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.93743940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.29394340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "32": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81751730E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34730369E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44026065E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60691681E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75135539E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58563409E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79749083E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27937937E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41654307E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01238979E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27489877E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75624900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54617527E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54786891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46052718E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83184125E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17093418E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47659896E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24278408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.92665014E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06827795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66977158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55761073E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37832276E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93966317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.41712236E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42828940E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.18532206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51670034E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.98781134E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34286056E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.62070416E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43551427E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.64271290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.66656260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "33": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12433336E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70089365E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.09073834E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76195211E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19096180E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72695276E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29694027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46916828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01707962E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25284663E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38072306E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13706450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73598747E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11494199E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16970807E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60866375E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31073090E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86811211E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37819778E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.45796177E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29356558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69590458E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99224595E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57217638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59097324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05285744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63399733E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79699638E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74693862E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.95636942E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76398160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04220715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02713194E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.34798650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22852480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "34": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44182887E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07068138E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77244849E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92426126E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65024729E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87425360E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.81631156E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66608978E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09522841E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50346902E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49130743E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53761700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93762065E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71820397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40721423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.41469836E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45355104E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26408063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51422736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.98886667E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51773684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07012630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42319557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77020284E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28396295E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27540235E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84809810E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43191300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98619765E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96442614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20429727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23191148E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.65720969E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.05326000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50752950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "35": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78958133E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47177995E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50617210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09773970E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13808262E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02984561E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36219834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87212821E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17667917E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76490147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60686781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95782770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15077460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35777194E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65871691E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22636816E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59529212E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65309949E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64692205E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50352075E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73373645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16494781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.83745152E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96737053E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00650311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50759924E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07075719E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.09053896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23455412E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.01205758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66355605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43085343E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32158952E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.75853350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.79715170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "36": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14098736E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88473543E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26640299E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27776348E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.64418072E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19109855E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92722388E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08512335E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26083423E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03665991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72720374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39736984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37509131E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03394409E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92437314E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.01590791E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73131083E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02261944E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77201567E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.98507883E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93416011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25014174E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21990010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15741984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.74981830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74772323E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25939509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.64569801E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44283436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.88093527E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03887103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58810227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.65251237E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.46380700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09744120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "37": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19635264E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95185268E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87418244E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46021632E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24593817E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38817217E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.97244830E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91561348E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82494503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34934243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47589918E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03412778E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91644514E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38934163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34534143E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39272605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.10622351E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51565722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19505930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18224075E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45122358E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73849877E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13038413E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.77048619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03822935E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19282693E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.04398842E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24056742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.58812594E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21889631E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86157791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.51249400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31308269E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09882700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35878058E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29313328E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92346311E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15468718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33767148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81807563E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96570358E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48160781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44919987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31308269E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52240840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.03966290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "38": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33040464E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17820441E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.36769195E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58723283E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61892389E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50982015E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.40460883E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08024771E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48931577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63023306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59909815E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.61625372E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19274323E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51773615E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83906209E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64914458E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23945441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18364589E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57654590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52582726E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29762764E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02905846E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59644277E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.97247387E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43302328E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34278617E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66766122E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52411443E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10542882E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96103740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24113841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08239113E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08061783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52552630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.22782563E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22690315E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33267649E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27365286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79046900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01243698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.85648167E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90027701E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64080283E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.95251237E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35481100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15773688E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.81702130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "39": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51842146E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34580477E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13688574E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92930297E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.68989746E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87248835E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03524133E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.00315190E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64061162E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05650418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15892518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44957297E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08536580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97252838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44898648E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04562563E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80277639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.34352146E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70326798E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73835672E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73333957E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27720241E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98850649E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09676947E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75599727E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46425247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16902439E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72251797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18146007E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30786688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41592236E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.12078845E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55157071E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80675520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71911945E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.36710384E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57343871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.94444107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51444951E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12376257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.06201960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22752100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.28852074E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86905339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.90967784E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.70596370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.43324450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88717700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "40": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66261600E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64491645E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20995401E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13019791E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.30426785E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07789483E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10935086E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28841698E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75662621E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.55065637E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37750324E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54867099E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52391836E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19319747E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55882526E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.51594466E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05021335E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.38422853E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17692628E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71573813E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06051300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53147576E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38593352E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19646443E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07670469E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58409616E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66133225E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93713975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27646908E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75536584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63404421E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01538082E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98177907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72340080E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95586643E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71428443E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67337655E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.32101374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67571344E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19744072E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.41600488E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40491557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.08048315E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.27333380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06070111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05908110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.72998380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28998460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "41": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75878601E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87797865E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27031186E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30099485E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.83524153E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25713585E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17439194E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53964221E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85903130E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.98781914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57161560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63730199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90587683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38223133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65292999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.94367647E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27730375E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02475501E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43062316E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33718011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94903608E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73329804E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69730148E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27334189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32069799E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67419731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02724192E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09462199E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34448574E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07422990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78865734E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10651536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36702129E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.49875377E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14810912E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.54435959E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62392007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.11852315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58277942E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14795285E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.16345120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28354886E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.75540311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.11593617E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.81660004E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15100570E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.49721600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18902490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "42": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83058379E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09275156E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32985625E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47536507E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03889211E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44671709E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24388723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81010769E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96991676E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46322794E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78328455E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73406997E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33230130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59526073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75941755E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41776411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52952040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13033758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87015435E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96270368E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13525164E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02212236E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.14151971E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38269223E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66755743E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80248048E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55015578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32114883E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44360139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53847361E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01093462E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21059204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78587598E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02636224E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33412455E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.86959636E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71727603E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46816981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73102912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21406955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46937997E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42362611E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.61420781E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.51157705E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13119386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24615120E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.75480140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42226160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "43": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98243832E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.42123393E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41263189E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70748734E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11076583E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68873582E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33152391E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14789692E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10727535E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04760483E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04122752E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85077975E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.86079726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86174507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89190567E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.97460107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82476337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26456928E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.57723601E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00970508E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81047930E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43124287E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76707871E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53562355E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15073580E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98090543E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27831599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63804352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58508516E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.20043622E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32951159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33497729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.26297210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10644282E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52385001E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.78961567E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98128178E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.47599886E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16801898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42034118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.47562051E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93085911E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19846284E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59033189E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56831772E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.34456760E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.02895210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25818730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "44": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03812002E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60075871E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46399959E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86025726E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15963951E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85647285E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39296584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38641833E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20474722E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46440287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22680281E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93597275E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.21597041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03495589E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97916502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39892076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05221322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34939869E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76530492E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.10344257E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46272683E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68472206E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.14839154E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62679393E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43300979E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08323955E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.68799503E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81212317E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65843297E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.54355943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48978870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42811912E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.64580269E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17028266E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67067178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.59575079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92507537E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.24651393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06142742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36211805E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15577688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72493206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12938004E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.27349293E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42057850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.44647510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.33445740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90509460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "45": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14936331E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.86698984E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53427142E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06218571E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22303683E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07153699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47111213E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68792157E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32733027E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.98585898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45732886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04076251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67384737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26205521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09269667E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90764050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32319952E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46482930E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23436678E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65759476E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62654771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06381666E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.71821328E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76291546E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85501053E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23674234E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.30649259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07796729E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77495679E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08816346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74867630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54256489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09194240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23961866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82710925E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.00795941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04262319E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68700502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.24883913E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44674853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.55265587E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90038094E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21821316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66483823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56775396E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55166920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07042480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15634700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "46": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22501375E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08868563E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59711213E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24932399E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28307222E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27805318E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54687128E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98222613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44757500E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04992384E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.68502068E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14462761E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.12558043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48566335E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20501797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.42145888E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59740257E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57990828E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69465867E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02031854E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77422908E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34041481E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12852956E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85908587E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.14790185E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34157570E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.72179934E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25277199E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84788802E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.42960080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90097246E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63382283E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.47089065E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29882932E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95406796E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.92813364E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01911419E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.58423647E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.19806432E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41645414E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.37983417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74495340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13953861E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.25395601E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36462187E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.66107850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17179810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67287260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "47": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32627709E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34385212E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66641639E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45181262E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34729495E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49717156E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62672078E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29062147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57293165E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10320078E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92032862E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25155782E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.58786723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71375422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31948630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94563972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87663809E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69830415E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16532998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06561021E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88743699E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.93286699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.01125787E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06723381E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78726782E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57290096E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06527175E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65430862E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02833211E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27018045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31021780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78478971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02501633E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37585114E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12471047E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.92098491E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30197607E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.65820960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66241210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63442311E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.44068013E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30023570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41018351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.49023252E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87410030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77308350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35676380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.70459630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "48": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35489719E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53264160E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72999067E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65687576E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41634628E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74258706E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71890494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65518177E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72396068E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16836154E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.21120410E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38463001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02064111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02571146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47549182E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06064166E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22885632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86296961E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03171999E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34596600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79366275E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58689516E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.97835528E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29254070E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.47251192E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81904394E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16389591E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07928428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22257361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01643302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74039724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94121095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.59796223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45505666E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.29142644E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.90961058E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58204098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.71801469E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11992952E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84928640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.48920451E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84396304E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67489881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.71986470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39125379E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88859610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54575320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.86147360E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "49": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47385919E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.84746953E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81845148E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92160052E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50183486E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03830604E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82783592E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.07947323E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89756257E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24246788E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53880248E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53316236E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09014545E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37405939E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64745385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13185663E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60695039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03797049E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.97637569E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70387417E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30363231E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52811632E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31102862E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48315297E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69249982E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16342890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50226953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08979898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96529293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24311921E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04552603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.93647170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08406173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.38431026E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88292155E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.50115276E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21604575E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49566731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31845522E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.62844092E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57312214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20908676E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75825571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61040238E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12466116E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51079303E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50882920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00765790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.72896180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.81789580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "50": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52454474E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.06913583E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89030230E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15164594E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57917873E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31299541E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93090892E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48643551E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06581053E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31489101E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86133042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68053609E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15960596E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72055564E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81847965E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20444518E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99464606E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21813817E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96628933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06852767E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.81075870E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75024680E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62827500E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16829182E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88575085E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81964315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75536358E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19641083E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44395323E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47637780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15612755E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49201008E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30932764E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.44728464E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21380094E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81775450E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35467891E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.88072853E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46260893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.24965159E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86563738E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35268000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.48705608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97708822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30747793E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.38655350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84430760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13029980E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.96599480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.27041910E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "51": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.63134065E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.36845994E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97735147E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41778775E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66635891E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61734474E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04366457E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92710090E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24642723E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39205923E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20277009E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83575206E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23269536E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08236360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99592243E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27965036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.39705264E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40357154E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09988836E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44704564E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36768848E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00137952E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98583849E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93385476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09933878E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53837270E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03065872E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31189362E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.96180158E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72946125E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27429080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07654083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54816358E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06056905E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62801937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28808970E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49993943E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28185737E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61218619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.89311912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16808458E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50116370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.24046742E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35932073E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49989506E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.31672285E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21234800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25657800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20302790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.85180770E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "52": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60876438E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48185531E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02935319E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60649984E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73423633E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86865858E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14064360E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31765178E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41026858E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46339902E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52363087E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98384036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30289566E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.43051359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16829645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35535279E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80430789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59330173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20660620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84056038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09830964E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26468078E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35991490E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72803459E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31840208E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26824561E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30800651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42756809E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.47839168E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97970683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38969575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64134641E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78449372E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17847600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06494951E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.81746816E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64872625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.69035378E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76389881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.54443007E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.47355997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65110620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.00141748E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.74770432E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69671413E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.27350979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59354130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38649780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.44006100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04949990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "53": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76716569E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85780213E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13271716E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91444786E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83355348E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21146979E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26645336E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80519941E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60858100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54755208E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89378471E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15140312E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38182652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.81673701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35643795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43531864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23366317E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78850745E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31752658E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24888716E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26580436E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53817535E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74699676E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.54270467E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54055332E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.00086660E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58408502E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54196337E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.98648702E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22303175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50109163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.18477925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01682750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29734703E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51707219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13965453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80142819E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.10725112E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91813939E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.20523022E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78288870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80291432E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77223438E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.14272362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89787537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25505789E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.98523850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.52007340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67709400E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21693500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "54": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79578326E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04292743E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19959406E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.14117878E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91258945E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49876195E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37589185E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24138595E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78988485E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62580877E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24292309E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31147981E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45745038E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18803328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53927479E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51571648E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66704355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98773483E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43153305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67400732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44011855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81773747E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14212882E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36856349E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76346063E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.72894041E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85623880E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65397231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.48094176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45694513E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60788107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.70648406E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24418792E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41638808E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98205340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30222232E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95959651E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.53672740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07645956E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.88217231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09925340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95816201E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.56107055E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54825152E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10524778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.27044060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39242330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.65732440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.91412710E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38446680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "55": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68419928E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18980184E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13233512E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26210348E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01195802E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05703979E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96053805E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56998282E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53680880E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84080566E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28172758E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97552533E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85230780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28932128E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44333030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25379732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50895198E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71419575E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18814233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54643756E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35368647E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88057238E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30668254E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65874195E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22338533E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60395294E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.11403691E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76882809E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99557987E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69836616E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56615246E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77727290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24808163E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83470957E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70830478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30927539E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31972955E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98545497E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38364515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70307672E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76200270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.78294801E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70563336E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09816303E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16459539E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.09062810E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28015640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.75322604E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.50712635E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15941202E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05894267E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.08524294E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38315250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06776607E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09235869E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30561828E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79834232E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.22075552E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "56": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69135026E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20875112E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21908096E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.59870904E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.14098597E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10732938E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16265510E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65400398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89819498E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00136666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35519711E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32015031E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01640318E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36783470E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.85138447E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46582573E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60287514E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22436037E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44204041E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69301170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08378872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35433888E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02287926E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54603122E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94599612E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.55049701E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.46016392E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04569860E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71527558E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92423617E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38387377E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10641287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39076086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48896961E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03626404E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47797558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.28441861E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43669317E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60818329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73292126E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32371109E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00957254E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28336771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02508389E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37019409E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.64271343E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.48233394E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06158806E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.90999707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.35781807E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16020581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.61444245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65873229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20882023E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79742212E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61936729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.53099028E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.94310315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.49334865E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "57": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77165338E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24013118E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33350986E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00069311E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29083179E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16423018E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38724811E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74610527E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28995141E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17368626E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43332896E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68361366E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18821458E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44968340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.27326057E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68253536E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69878537E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.74326996E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69309920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83772195E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.74640131E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70300834E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.45962386E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28221473E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21925924E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75711517E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72077418E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00457537E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26808244E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22066404E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.03870757E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23317269E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04099872E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00704251E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42811868E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21502569E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.90635856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.91276098E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41488463E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.84793873E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44835287E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76986554E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14413791E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.80149986E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.79462129E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90332289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24190888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75626808E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77956316E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37738791E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.78674241E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.28206399E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54076751E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.57082185E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40854139E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.89842521E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.09165174E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77621760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.45269900E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "58": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82747627E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26315591E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41959183E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03177812E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40553603E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20781049E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.55893404E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81625334E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.58697652E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30375243E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49209548E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95692764E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31848413E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51071529E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.58069455E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84173139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77718280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16147376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88785412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93224415E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04052178E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82329522E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61968519E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33860359E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33420489E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92206987E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05579327E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08856257E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51845342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30695241E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37153564E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37301759E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10350552E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29976217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56525567E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28266734E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23356279E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07222880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48906944E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.12512708E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55027415E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.94901655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19640756E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93427825E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.14404048E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02926315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29480316E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.99956074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89729020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43649794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.07746494E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.42141538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60227623E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.76194762E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46962789E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.05358741E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.95268772E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98956519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17114131E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.94920138E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.08590602E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.38090495E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.97149435E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.02209963E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.41154840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.84871770E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "59": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86883776E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28111315E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48805368E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05670390E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49786369E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24291607E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69703425E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87249858E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82406963E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40702918E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53852358E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.17235179E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42174752E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55766972E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80980170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96109515E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84337477E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.50622562E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03760837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98513156E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.00844004E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73216961E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96588572E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09787542E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43094841E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06072918E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33571504E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15801843E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72269821E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37632734E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63542405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48234028E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15174624E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52297276E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66582384E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33007311E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.42173819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14735968E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50774122E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.05255751E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46704575E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51921949E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07334488E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07421849E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.51108591E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16127875E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35018730E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25414149E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02053376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49836471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.38215251E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.56729610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66676810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.96696088E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53492688E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21780265E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.53102916E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.83430759E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10386278E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.59551995E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88669501E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.25419325E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.41216336E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.05128561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.73613050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.29340750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "60": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91960417E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30288379E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57159637E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08739088E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61253475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28688121E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87134258E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94401183E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12761723E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54010513E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59865643E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.45185358E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55491373E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61988575E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12174063E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12263271E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92426689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.93561196E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23618786E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08005530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28917364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84226847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09300001E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14263985E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56009152E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24669640E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71270146E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25187665E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99933800E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47051521E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99480304E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63196534E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21810934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83169788E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80949666E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40058419E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.75959116E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30996386E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58218082E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31785482E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56017993E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.67403878E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11919582E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.21151433E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.86972367E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.28987632E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40398277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.50085160E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13966209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55798625E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.67292055E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.70451778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72590953E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.13540073E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58198229E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.31470491E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.18305837E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.05830514E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19554852E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.00000751E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.06244396E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.96687310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.66053151E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.26513607E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.03288990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.68510500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "61": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92678520E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31621728E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63550335E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11307256E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71343240E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32679589E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03302671E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01137507E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41685622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66803564E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65687536E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.72412644E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68548988E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68130931E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.42946578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28245814E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00587195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03684475E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43725680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17556533E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56843795E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95108925E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.21900507E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18678427E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69699875E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44477251E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11448198E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35166595E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.29194871E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56954710E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.37060369E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78770175E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28690879E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.15060964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95755800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47314614E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10716017E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47660431E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65821000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58354478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65234196E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82717378E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16428270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35128339E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.23352864E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41999964E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45831305E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.74967151E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25969894E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61796997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96435153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84118383E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78426523E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.29457403E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62333197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.38800270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.81090003E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.27343800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28363363E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.38698483E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.22932657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.63566892E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.88930549E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.71567543E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.32314980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.02318920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "62": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85300668E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31353563E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66104203E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12864621E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78548130E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35789769E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.16614593E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06897381E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67109772E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78288819E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71003709E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.97642934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80833476E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73997422E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72342556E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43603496E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08719407E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08001709E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64027819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27156206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84853256E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05952156E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34484160E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23062682E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84060872E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65428689E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54053274E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45737046E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60062560E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67346436E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.76298243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94961540E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35817638E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.47987421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11010114E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54781348E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.46478624E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64752181E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73597267E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.85095520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74415459E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97993569E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20896308E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49368960E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.60291434E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.55178933E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51323288E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.00082552E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38074576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67836726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25680546E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.97755448E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84201151E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.44531491E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65958030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.44047221E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04243499E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.48322528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36953556E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.76302950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.39042742E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.27447784E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.10406185E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.99005200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.61136320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.35774080E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "63": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89538554E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33287042E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73884430E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15817255E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89847350E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40195017E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34289393E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14207805E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98303716E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92007158E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77212419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.26522990E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94613591E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80455651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04568108E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60292468E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17260086E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12513662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84878735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36990352E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13039061E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16846210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47108616E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27446778E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99716265E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88194004E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00204494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57138047E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.93149227E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78408859E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.17807165E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11998913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43282388E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.82333208E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26860587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62520609E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.83526638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82407646E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81610843E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12206697E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83633868E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13374391E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25370404E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63907097E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97872972E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68554140E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56886633E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.25489024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.50308865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73932232E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.55108470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11409136E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89941238E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.58904056E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.69136304E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.47451561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10292744E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.68977016E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45410131E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.13207092E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54759543E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.89166108E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.30817387E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02652387E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.89399590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.69244370E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "64": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86936086E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34069710E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79545439E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18412129E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.00811759E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44741945E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53346270E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22354506E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.33996124E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08050625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84606416E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61398933E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11377417E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88556678E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46053105E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81937295E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27539008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18026024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.11501315E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51385210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.76006199E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51963905E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60988399E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68478875E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20365964E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18566899E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.62213196E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72529370E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37925518E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93400563E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.74146650E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35185478E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53465903E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29246146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48997842E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73617507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.42554096E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12524934E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97291666E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80418851E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14666579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.01632546E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50228106E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77728178E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03344762E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81169286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62113244E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.49274575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.61718508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79588645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.81970128E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.23594361E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94843327E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.67397818E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.69672492E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.40933153E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26562245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.25447039E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.69101420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.23611604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.07455908E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.23625524E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.35338874E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05171445E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.23840100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.91845670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "65": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89674011E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35438026E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85294705E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20643787E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.09462147E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48133330E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.66964004E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27970336E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.57825595E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18453707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89278376E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83025182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21764764E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93287830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.68489361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93440491E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34646612E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21694404E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27579368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57069988E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70453127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38884860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72675416E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36260508E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33843599E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38259672E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.01922337E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82214123E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65468332E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02389755E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07077253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48388746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59132312E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.54873463E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.60208126E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78766381E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.61322898E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19346832E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98323141E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.67668195E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02261707E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44707342E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34372708E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.93958832E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07517073E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95963309E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68255754E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.77301241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75226266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86319918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.14676288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38866030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01375875E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.85844028E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74298991E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.49315458E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22274557E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.09809912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62121967E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.85836365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.85447810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10809193E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.69253717E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08638020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.49742470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.06910440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "66": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85718835E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35634488E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88755490E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22445586E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17501789E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51562926E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81571822E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34270145E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.85536530E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30920085E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95021198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.10142129E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.34916407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99570476E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.99726508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09662262E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43424252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26331841E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49393316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67311108E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99848619E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50094097E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85656369E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40700689E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52309351E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65642435E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.57740050E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95960556E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04905075E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15368207E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.55027250E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67805976E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67541569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93163691E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77744074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87291129E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02173047E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38677123E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07039817E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.96121233E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11714367E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60788264E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38940301E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09519081E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11500034E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10035394E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74076858E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.03774939E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.87941466E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92627795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.44903388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.52720560E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07099548E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.98570267E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76356675E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.48057842E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28251614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.30146426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70440655E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.21853619E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00557214E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16592940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.87537462E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12411948E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.79772240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.25551900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "67": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89091894E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37295864E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95866148E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25262796E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28631707E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56001877E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99679460E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41846736E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01811734E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45317077E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01553854E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.40562720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49454559E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06425640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03374825E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27231546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52631358E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31179280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71860144E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77852109E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29780447E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61497475E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98802033E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45183344E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72351204E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95321330E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.18121984E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10785559E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.47224522E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29209364E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.05858347E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88282279E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76369309E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.33195482E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.96017459E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96157277E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.44712126E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58765983E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16084632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.25255959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21323494E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.77286419E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43586635E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.25447826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15564324E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.24359953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79991515E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.30636251E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.00831033E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99012848E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.75432110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66664291E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.12830362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.10801420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78068619E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.45369806E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.34239236E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.50499582E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78762478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.57800663E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.15570623E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22296058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.05312827E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15742788E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.09790340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.41687560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "68": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92268980E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38893958E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02810159E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28042383E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39694823E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60436389E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17831078E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49458115E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05088743E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59805488E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08128743E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.71178121E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64091487E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13337031E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06796876E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44866890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61981866E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36100107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.94749542E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88587111E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.60317940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73093352E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12132672E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49707850E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93657606E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27036348E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82731528E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26632973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92304439E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43877465E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.59443281E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09767174E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85594484E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.74878264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14995550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05352129E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.88886489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.79582521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25438695E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.55058631E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.31090104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94251536E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48319839E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.41762342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19713972E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38950007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86004830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.57907614E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.13905464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05480154E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00628977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.80713032E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18576873E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.22579722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79454494E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.41332166E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40247797E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.70905730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.87101892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.93743190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.30519032E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27932814E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.22639195E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19545942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.40092920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.56074430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "69": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91592108E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39669620E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07671325E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30255512E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49119308E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64370464E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.34379969E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56533025E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08178690E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73615718E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14448820E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00081145E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78360881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20134697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10159646E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.62200327E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71374397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41048849E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17973655E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99482528E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91514937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84895833E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.25669171E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54279139E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15936615E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60534687E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.51232511E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43445496E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40018936E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59335390E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01564700E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32205455E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95193393E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.18108114E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34637547E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14857987E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03460482E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01077749E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35075113E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85502933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41011012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.11711332E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53139630E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.58473986E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23951451E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.53812809E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92119321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.85598353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.27168098E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.12030821E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03748083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.94869744E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24340545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.33901834E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.80516481E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.35971485E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.46285417E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.91393142E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95470107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.29731938E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.45426366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33514216E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.39562294E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22280806E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.70767000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.71564610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "70": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87148847E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39601904E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10291279E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31831112E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.56614387E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67687226E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.48850323E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62873290E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10996886E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86377573E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20349508E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02872271E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.91933351E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26679818E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13390158E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78823355E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80705312E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45974485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41445953E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10501748E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23392303E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96898929E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.39428583E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58898551E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39128349E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95822826E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02373676E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61264417E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.90503016E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75626630E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07461702E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55651360E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05187575E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62976410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54988642E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24697591E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08200236E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23312464E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45020865E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.16660893E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51112309E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29788020E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.58071180E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.75587491E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28277524E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.68949579E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98335032E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.13707032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.40617489E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18663782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06899927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.09132252E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30120297E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.44748540E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81250944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.29297214E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52358461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.11983767E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03875741E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.65805353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.60310594E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39048521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.56116586E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25886877E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.01857500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.88485980E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "71": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90829691E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41470444E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18721744E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35323010E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70920485E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73558594E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73368970E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73331785E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15566925E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06843308E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29735204E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07271468E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12910665E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36747961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18536387E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05803875E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93361596E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52697315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73185531E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27206734E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96056799E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39944768E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.95546641E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15189240E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73654676E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48506906E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13247529E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88127183E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66973978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00403790E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16466352E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.91629492E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20594128E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03235989E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87207549E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40730485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16889082E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66439126E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66781267E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00169614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90116891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.45512386E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89815034E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91779330E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32352927E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.83152178E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04141147E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.39847241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.53068965E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24763303E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09743984E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.21637698E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34887302E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.47472067E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78233672E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.07718041E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70012443E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.72997174E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29587582E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.86056222E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.17796194E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.66013780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.71462046E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30708647E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.57287740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.62209500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "72": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87243620E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41747200E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23014121E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37667402E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81866404E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78398974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.94599764E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82709032E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19770887E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26033100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38671918E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11515966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33408344E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46789234E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23689284E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32869178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06199999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59522134E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05539380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44481225E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06982592E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76938206E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.15394996E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58677096E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04973289E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97166590E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23354351E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13115701E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.37840415E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23196460E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24680285E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24178262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34433429E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09434670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15964591E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54996328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24423228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.03368783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85383465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08167322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26117130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.41138698E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14783426E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23277679E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87119865E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26122724E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37529808E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25369758E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96118835E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40215822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.50211299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.85832931E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01462091E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.36693168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.61593723E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33440437E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.91613381E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23907453E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43875053E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.45958282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.80705282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12799602E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.85475487E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11953270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.14482820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "73": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90224267E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43339132E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30499750E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40860425E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95238995E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83972935E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18138995E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92828894E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24216699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46007117E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47848878E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15823580E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54014985E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56744236E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28747806E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.59273050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18979924E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66340117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37889068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62115576E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14561827E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15254061E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02452703E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93051986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.41609118E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.54185323E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35207978E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42422983E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02081615E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49791299E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34225135E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61859909E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50410598E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16580274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48814775E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71166732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32915558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44144291E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05646937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16517745E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.62120027E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02664742E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36038552E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39750237E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.29704239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41266965E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43817485E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.54023040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09895688E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47017949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.83553925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02518574E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08755428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.76593302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12421518E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58359409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.76728716E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.60567724E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61180870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.32100976E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23704754E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33572913E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.74766339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40593440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.73012670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "74": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89486040E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44070221E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35631737E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43373452E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06548025E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88892006E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39513348E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02204600E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28397456E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65005292E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56656019E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19988485E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.74088445E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66527833E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33720973E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.85279739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31821033E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73209945E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70741883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80272419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22469783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53733588E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12566398E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23961480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.79971658E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.14887720E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47921399E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73960360E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11009280E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78314170E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44416267E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01916443E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67337534E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24137402E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83671290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88291858E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41881361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86533841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26623219E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25130227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98501311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10731145E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55460066E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57423197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.75233417E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57425265E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50519306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.84571992E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.24602555E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54322894E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.19626846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20850876E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17362261E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17928550E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28319855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.82322994E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.58440682E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.95772430E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77787614E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.14859992E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.65176667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53726808E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.61430649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59256210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.32737660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "75": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88559525E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44706943E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40419732E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45778202E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17541137E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93723958E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.60666531E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11531516E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32571409E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84018438E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65484404E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24168515E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.94265499E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76384816E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38725713E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.11444138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44881047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80205937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.04250506E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98997023E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30707491E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92741908E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22193649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52759578E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.20757048E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80267194E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61694479E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.08211391E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20700434E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09173362E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55391672E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44861897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85423872E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32199249E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.21064318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06617748E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51454548E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31041930E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48552798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34048666E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.35588998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18513934E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73670806E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75641127E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02198342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.73969296E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57367949E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.15750058E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39607822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61776843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56543559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39798385E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26490901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59750744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44037681E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.05940194E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03883228E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.30377829E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.94095450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.96137545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.06003639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73647706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.47139292E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.92373800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.93607990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "76": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84125258E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44503814E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42839448E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47483755E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26379383E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97863824E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79516346E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20067941E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36467232E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02031757E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73946740E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28213126E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13960173E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86093142E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43663912E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37357275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58020956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87262460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.38274099E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18205804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39266806E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32460823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31531302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80245999E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63097397E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.49564321E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76435825E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45053728E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31139044E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42347769E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67147514E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.90685097E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04668433E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40769039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61104476E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26176937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61640026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77606455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71420645E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43272601E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73510191E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26131810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91026232E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94200435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06942094E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90704888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64280669E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.47164194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54714283E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69269087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.93709403E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59028324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35907036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.01883704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59699321E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.29395263E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11858306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.64688740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.10266663E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.76801688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.46633266E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.93549267E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.32851638E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17768010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.55613430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "77": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86240443E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45733454E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49087581E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50308248E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38751186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03189396E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02552416E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30144272E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40949280E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.22342920E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83333232E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32637599E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35231652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96450409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48905039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64707995E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71687305E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94587421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73252373E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38075762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48134344E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73039215E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40696570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06848198E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09940639E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.26349664E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92779539E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.85880292E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42681909E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78873895E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80021216E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40603962E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.25551719E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50051704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04777000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47383843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72631715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26900882E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95518753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52857591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.12544673E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33700784E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07844370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.13017941E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11732959E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.07553432E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71223925E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.78654744E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69841212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76754303E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.30876302E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78391760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45512934E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.44288137E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75374449E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52899412E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19840640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.98999182E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26437753E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05750412E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.87368019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13564606E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.19145346E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.46251920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.01876050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "78": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86523222E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46509179E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54024629E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52743078E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49936115E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08144309E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.24407556E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39837555E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45305725E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.42240054E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92583522E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37018241E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56384276E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06798748E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54143442E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92090504E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85527318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02016600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.08793459E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58422757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57298428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.14480876E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49761303E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32813552E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58812096E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00793453E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10295974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29831050E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55123428E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18167400E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93817750E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93881697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47772944E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59917370E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.51490188E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69898833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84212154E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78007220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20472312E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62738023E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52530577E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41228970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.24167938E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32044309E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16558301E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.24469348E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78178267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.10128713E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84941157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84205784E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.67894135E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.97790975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55252941E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.86934064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91099852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.76572611E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27871037E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.33480736E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.42690393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13864676E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.28400791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33781163E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.06397634E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.68636660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.08306210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "79": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86641871E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47205722E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58655973E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55076534E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60812627E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13010156E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46022108E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49471948E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49650967E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.62133979E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01847450E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41410537E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77622614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17205973E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59406918E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.19614087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99569716E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09561152E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.44951963E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79255281E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66761501E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56928335E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58858219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58685362E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09851036E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09449144E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29019969E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76987962E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68483838E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60271592E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08541062E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.50485039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71300001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70343965E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.01063283E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93569179E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96270954E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.30521856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46130136E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72888592E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93419480E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48736933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40065837E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51257515E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21412561E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.41432592E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85135061E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.41544342E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.99992280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91611025E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04686529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17163911E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65092857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.29799134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06895064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00441892E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35960199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.68188195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.59058138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22043037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.69842522E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54253879E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.94858020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.05376020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.14853380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "80": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81789967E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46710856E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59876991E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56383633E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68471673E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16831854E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.64143439E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57904821E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53573459E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80514197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10564267E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45606171E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98194852E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27448739E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64619814E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47070334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13869210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17300519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.82788094E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01282867E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77097518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.09487289E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69475032E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90513996E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66143432E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19297811E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50675102E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32093964E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84199043E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09949117E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25926161E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.17326364E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99115070E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82712699E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.60479214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21475712E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10334669E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89786639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74702233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83719031E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.36726823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56557324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55705435E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79968951E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28668689E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66880202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95626062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.89419813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.23148375E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03451499E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.63959419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47359426E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80241774E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.01705130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36689729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.24155820E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43982705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.02529845E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.75231004E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30107081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.10672932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74486516E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08471151E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.40593950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.21519160E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "81": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80338285E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47025619E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.63555754E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58527398E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79246257E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21879438E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.87307796E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68480778E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58432979E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03105139E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21218877E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50707828E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23010621E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39805146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70939014E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80173226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30162250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26098628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02665686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26482246E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89889444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84613719E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01065745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.32370907E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37282646E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35721283E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23566782E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36290763E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01480894E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31820210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78798622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90284415E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.15022877E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69676016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75043773E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.44562670E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20432285E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11720749E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01075987E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90314928E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96328877E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.05496991E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00496286E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.59278837E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.80668020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53461202E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.01015229E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75502849E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71843268E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.32163373E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17508976E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11097058E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05041178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.14706485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34214699E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03451933E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21552202E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50267783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.89995595E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.66331967E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.99800850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.21750898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54175772E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.36995778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.40866133E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41384687E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.52629430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.28332740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "82": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78790468E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47277856E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66980788E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60593717E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89847781E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26912673E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.10631045E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79208693E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63391338E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26252891E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32169850E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55964749E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48637891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52613276E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77504674E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14632745E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47101722E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35272879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07214573E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52715061E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02746272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.62040984E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32944034E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.68598864E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44315847E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50743314E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60444246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46372787E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31579089E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41524402E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.12587435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03021930E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66820906E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92148422E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85356353E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95192825E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44857645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24228444E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06751765E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.19177307E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09083067E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.71717990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16745290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58254189E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06108755E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73011313E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.67314733E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02389437E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83970261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.91221384E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47577918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27108628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13491680E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.59531052E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58639830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16289182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.85219166E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75459932E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.20138448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76510085E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.43430142E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.42407420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64610261E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.90770330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.68433522E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54783108E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.60408710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.35278400E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "83": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80226841E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48197988E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72238743E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63218333E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02327402E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32625999E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36570190E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90989196E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68788402E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51276737E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43938033E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61581494E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75851541E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66121900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84400480E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.50651171E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64662683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44772899E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11901610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79784882E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15870772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04226135E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65908662E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00734400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52678508E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68636941E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04560600E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58483354E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67858698E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53250769E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53455235E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18424309E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.29423926E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19320068E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97851207E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.56967864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74356303E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39296309E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13516041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53461227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24108719E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53174998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48293103E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79158225E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14563420E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93479123E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03643045E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30323545E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96540411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.52357533E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78674481E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43647577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22239217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.06071971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84128694E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29733557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52008084E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02232067E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.51023047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86924359E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.88015411E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.63519861E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75278866E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.45836180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.96752275E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.68654417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.67301970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.42364120E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "84": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83099270E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49430679E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78316183E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66076999E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15531036E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38575062E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.63301741E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03038171E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74276022E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.76599981E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55802853E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67229646E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03189111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79694900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91317460E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86768775E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82455671E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54409112E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16672459E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07428396E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29230811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12470444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99794160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14926500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60947307E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86516751E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48913936E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70700193E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.04504867E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65086424E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.94571483E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33841649E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.91719770E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46207589E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10147178E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01715388E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02831330E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53679474E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20014535E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.86779855E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38995036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03602518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82313749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.04113582E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23256609E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14433523E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10687289E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.58688520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09270647E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01414646E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.10053207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60297016E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31054355E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.53090018E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09916893E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43365559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.19815647E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29483247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.82612869E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97561084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.33493584E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.85056868E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86165214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.02103234E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.25765078E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.82952431E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.73526070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.49589680E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "85": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84244092E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50209341E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82965478E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68476525E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.27250219E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44042340E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88469174E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14580280E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79601077E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.01410800E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67511528E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72833709E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30437479E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93276071E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98241093E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02297017E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.00479865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64182357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21526000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35636699E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42798951E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20909391E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34586720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29471622E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68580977E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03531193E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.91745658E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82596030E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40346837E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76678260E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34774612E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48856435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05207443E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72117514E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21927629E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07421196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29690220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67152734E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26155116E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.18686221E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53471710E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11839341E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17263922E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03102418E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32162902E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35817578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17845424E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.87406344E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22124347E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07639309E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.41610092E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77000451E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39904848E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.00395005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35866386E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57110943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88260345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56992818E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.14902927E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.08417199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.79848050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.07008509E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97263216E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.59533206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.55444773E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97652644E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.78194270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.56955900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "86": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68476598E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46794059E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74912556E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66787655E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.25170530E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44681432E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96160398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.19595350E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82417354E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.16322270E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75224966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76799035E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50979574E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04118111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03907122E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05354324E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17227450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73375318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26282083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.63534680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56553897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29475083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70279586E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44373172E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72824122E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15641728E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.25282723E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92412503E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.70898829E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86765023E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.70190435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62169163E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10574454E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95179408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32404364E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12459428E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53557248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79136374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31728352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48261416E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67263353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19863600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52585561E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15893147E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41613025E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.58429411E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25385658E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.17561771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.35591634E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14150621E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74581199E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.94435853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49162359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.49983429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63156854E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71598621E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.60663337E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86675318E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.47900273E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19493865E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.27081990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.29375191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.08572780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01812229E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.85784113E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12743536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.78889640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.64463130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "87": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69630961E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47558891E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79624375E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69317756E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38004941E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50854751E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02530484E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33247507E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88833063E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46686777E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89744796E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83823557E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85366034E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21553074E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12904353E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10053812E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39654059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85668194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32689507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.00408107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76305078E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42154544E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.37356599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90085430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82410150E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02896085E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39926505E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23329240E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40212227E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06185638E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.91488445E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.84782509E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92886180E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05235754E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09333750E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71239751E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.62025844E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56063114E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72502876E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46581820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32526640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19919582E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10856262E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61918066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59914486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20920922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18671296E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58679899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53141920E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64324832E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08516860E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54755674E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.89833144E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35839627E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.59356427E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54268509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23206033E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.20574287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18981161E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62413605E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21563086E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03627378E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93090740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.71728483E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43448617E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06983930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.41664157E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17267788E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.16350256E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.23759816E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.05140277E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.97658782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.73487106E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.06508071E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.72116740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "88": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.67637283E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47473626E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81458493E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70814693E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46988075E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55558345E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04868766E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44572527E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94280377E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72914089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02452913E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90036868E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16102724E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.37236561E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20994006E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14300942E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60735235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97245603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38736287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35650255E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95126588E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54167596E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01211866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33055832E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.44820730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84469094E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04973308E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35291535E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72784723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15414820E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19411807E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74623317E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23449668E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16213192E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.51126394E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88174375E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.35008097E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89178526E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88234555E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.20490997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67705333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37185370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18258839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.96621348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71455800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26297704E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87116998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00470111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26698430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89898944E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89168347E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68317969E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22106331E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46531752E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01921002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73236053E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32378229E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.67065795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43712613E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75771370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.93708340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.44169368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14602412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.83370577E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98910725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.48466962E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.74557142E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.28282828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.63247773E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.45934069E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16335598E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05563161E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.03560248E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21537389E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.79916930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "89": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68359352E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48003275E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84916420E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72744755E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57067417E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60505576E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07242240E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.55813565E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99601918E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98229707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14606236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95939680E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45216934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51987204E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28593072E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18308995E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81287834E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08497970E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44622532E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.69990002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13134472E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65484495E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56773494E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65001922E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11047347E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51205419E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45858682E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01630527E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23624650E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44324706E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05486952E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50729469E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25982069E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.88109482E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03047146E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.98564763E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.17800181E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01754681E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.94533658E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09713519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63434530E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32746941E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.80989159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14270819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50327648E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.64401774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36967784E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99445949E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21393873E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.91019273E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12867857E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42245793E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.80948811E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.42380164E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14268761E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08678409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.68995225E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.01295146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57867423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.26322713E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21373081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09944137E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97631255E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17899678E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55437475E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.17278694E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.51846677E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54273440E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07499834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.99396163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.43990871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20202317E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.81485987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.60681354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.92397641E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.24908020E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.87863210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "90": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63280759E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47049788E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83729497E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73161427E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.62190496E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63828714E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09078724E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65268361E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04331721E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.21608310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26145509E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01660009E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.73860092E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66725407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36189287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22318481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01925482E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19851466E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50504643E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.04616160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30919411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76858821E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11504365E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95974861E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16691654E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89126780E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53765363E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25639620E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30770492E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66580980E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12775339E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75770918E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35003379E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22330125E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16796771E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.57173372E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44126951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14166159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05620675E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40884241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80011333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40861997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23858411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34563005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61642205E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.19544206E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63010847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.73573168E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41882606E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.01872413E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.37965711E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50254223E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01165304E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.55638938E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.20483780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11758208E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84933138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09693534E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62298216E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.50649312E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.34380868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17302389E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03873358E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28795089E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68072574E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.91955477E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.45144302E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18151514E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.16922860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.22732982E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03067664E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.79256292E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.56809306E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83462683E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.77590281E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12569046E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.67663520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.95952640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.00609730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.95596880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "91": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.66558835E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48135667E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88533739E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75415012E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73061041E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68964971E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11487336E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76492741E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09574169E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46222638E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.37806307E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07249762E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00111603E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80277128E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43055991E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25931247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20836058E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30052701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55461442E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33878936E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44781276E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83454311E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.31257720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97560670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57470359E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67492898E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60296683E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43181998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35719412E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81433696E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17489827E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91496340E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40496708E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42485582E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24610178E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89238513E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57977117E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20412860E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08524340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.55073232E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86974363E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44378050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.42972335E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44898812E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65994740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.28151800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61201379E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.46785203E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34352156E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20123396E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.80386231E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63869910E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06416843E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78508938E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31288654E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17184762E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13245950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.24906007E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70515326E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.95737564E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59100975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30124854E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09618255E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.53383444E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68651874E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.60821575E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.46848575E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18643174E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.17934990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.22829424E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.02683771E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.76276880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.56413422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86546279E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.05940727E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29130272E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.81987886E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.59016610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.04163070E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.35524640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.28360070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "92": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58567332E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46346866E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84272821E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74630608E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73343404E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70324667E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12518551E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82590492E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12876744E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.63409395E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46606289E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11736036E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02416744E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92269481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49300143E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29308402E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.39772461E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40437461E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60801412E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.65613070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61032607E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92251634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66571525E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12239117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.78188433E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74633124E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64721605E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.59139735E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40764874E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.97635680E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22880210E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10139856E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47208143E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.67759694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34640901E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03133584E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76571738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29012237E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12685779E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75860809E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97694718E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49746723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.71900837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59611387E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73339868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57251969E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71891286E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.68086464E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40114143E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34172062E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.12851253E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74209786E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10373639E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.95593590E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39300700E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21170183E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.33901881E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35863939E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76346823E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.27673366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.76281816E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39153623E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13869711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66588500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72879486E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72161554E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.54110776E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20999249E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.26986146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.26707393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.04209543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.82552641E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.59753634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.92041146E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.41428678E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.46308548E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02978844E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.56834550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.12504720E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.52001240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.61889450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "93": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61716382E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47379028E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88829883E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76781892E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.83865117E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75372747E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14923799E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93961117E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18254760E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88937467E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58819422E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17645897E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05326471E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06987328E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56829268E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33286329E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60485501E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51701089E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66469232E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99043055E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77658292E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01178364E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01146437E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26556246E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98864981E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81768210E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72927936E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82128029E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47431841E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18094692E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29498933E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32598409E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55179587E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97435304E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46299591E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07982595E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97821020E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38776323E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17391847E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99145663E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09648358E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55625094E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.03219667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75057379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80906604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86171397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82391165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89741831E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45917496E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48242952E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.45297576E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84511015E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14302663E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12504350E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47209359E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25093571E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.54192198E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.46598440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82043157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.58854072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.92977642E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47838278E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17892676E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78242066E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76243170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.79859022E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.64344766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.24363155E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.40486374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.32746977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.06862514E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.94459711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.65065372E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97810814E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.76148872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.62478979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05800991E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.95426610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.20974270E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.65956470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.93353090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "94": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53832140E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45549606E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84108799E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75710963E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82650922E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76019734E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15628339E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98577763E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20884036E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00302041E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66154828E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21428040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07295882E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17329336E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62224084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36251063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.78061227E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61309773E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71225423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.27781165E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91571685E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07337937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.15365411E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22665472E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09440453E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47938124E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74569222E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.90435838E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50278685E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27519019E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32659304E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43460727E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59018322E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.11464559E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51647948E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10120199E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06749309E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42625634E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19046460E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07040441E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13124150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57619488E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.14555379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82626905E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83640633E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87728968E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76122743E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48682793E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34019175E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.62704598E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78628431E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.95075859E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18324861E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.29788742E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55283539E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29095451E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.74871901E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57539017E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87864079E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.90872283E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.10247442E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56833723E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22094256E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91399798E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80250543E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.91224396E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.29775642E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12673104E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.88282525E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.07039864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.92841001E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.15810572E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.17359107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77249803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.84372390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23835622E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08915755E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.13231780E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.29572780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.74363050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.87695840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "95": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56785612E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46488299E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88179861E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77642887E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.92303605E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80754455E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17926504E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09592423E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26148721E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02820544E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78268970E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27307167E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10194122E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31953084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69697126E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40208246E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99109081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72768860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76955258E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.61841660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08726911E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16261458E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48422326E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35670018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.24167116E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52921412E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82514283E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13230780E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56984967E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48291936E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39418033E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66459987E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67182901E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41773407E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63489847E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15010197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28012346E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52317037E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23679291E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29860021E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24766606E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63370545E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.45209355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.97812765E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90872098E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.14398624E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85269805E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.68477540E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39157727E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77170309E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.11825622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05550089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22295531E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46784712E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63195664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33003830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.95014592E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68154333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93475195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02154070E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.26505992E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65105706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25809857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00817203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82303845E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.93318928E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.49674222E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19288206E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.15947514E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19904075E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.99111605E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.47527120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.32658158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.85559534E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.24462221E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40125807E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11777526E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.10962040E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.38304230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.88203470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.22852900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "96": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53035294E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45689782E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86623646E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77625243E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.94915314E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82894842E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19250146E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.16868477E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29946564E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04751349E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87987968E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32197211E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12684475E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44899616E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76419920E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43836383E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.19464791E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83939862E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82640323E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.95838814E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26233209E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25251642E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.81675588E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48719412E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.39271333E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58004254E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87797864E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31274356E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62673876E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66621522E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45532907E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87617614E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74775610E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.70135786E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74600535E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19599040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47942842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61380058E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27996290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.51134646E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35576135E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68784464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.74252139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12553744E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97843256E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40330120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94075516E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87988474E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44113983E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.91882103E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.45568714E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16177466E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26315473E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63954817E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71173883E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36938066E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.15262309E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78812013E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99105147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05231910E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42788571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73317909E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29464746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.09686247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84036909E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.94096726E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.70434212E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26183371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.44796270E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.33334011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.05679928E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.80986873E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.49065784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.94093174E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.64434976E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.56036440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15929781E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.78857860E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.47161170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.06886770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.51389960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "97": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54536965E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46221633E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89226158E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78991079E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02352826E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86774268E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21221394E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26638851E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34740196E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07091310E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99420501E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37813256E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15483515E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59175064E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83755190E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47748966E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.40828207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95617280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88515642E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03090998E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44173878E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34429561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.15300930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61901579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.54806972E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63200499E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95208090E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53684375E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69450941E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87993389E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52570615E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11755360E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83381550E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02104683E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87057417E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24717775E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.70073903E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71408318E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32767281E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.74512247E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47442814E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74650458E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.05504694E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28026706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05096780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66785439E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03006328E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.08815552E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49280983E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06805433E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.79737916E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26910079E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30363468E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.81197593E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79167515E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40871722E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.35472800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.89431336E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04706806E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08292439E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.58921149E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81372126E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33004091E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.17601711E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85236482E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.92636720E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.91769159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33261776E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.74404394E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.47123577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12436300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01556629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.66217654E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.02776822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.04257797E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.71613275E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21012862E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.74230990E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.56145130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.20863110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.80329350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "98": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50763308E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45375870E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87308776E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78767368E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03958932E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88470322E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22358701E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33158138E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38238146E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08903101E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08655019E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42499437E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17889396E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71794041E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90337618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51324526E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61404803E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06963473E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94344566E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06586383E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.62500056E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43707757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.49406082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75250727E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70871528E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68542697E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00367137E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.71991722E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75342956E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07240956E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59051755E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.34315193E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91502332E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.32434668E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98899553E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29582199E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.91071105E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80897289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37263227E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96545810E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58583404E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80227851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.35359706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43125242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12132183E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.92702351E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11673349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29381833E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54283592E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22076957E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01464926E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37849991E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34479384E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.98689477E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87260695E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44847302E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.55866508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.00131876E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10346155E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11371617E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75107536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89383534E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36490985E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.24935070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86084511E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.89694986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.13548293E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40479090E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00457697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.61177262E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19329067E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05095907E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.83923938E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.11580999E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.43996897E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.86937905E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24964153E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.56869110E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.65263590E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.36324200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.09422550E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "99": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50901499E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45530426E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88557127E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79609361E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.09318104E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91533016E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24012379E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41686625E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42536963E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11041373E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19253841E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47768550E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20547114E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85534195E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97440537E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55138467E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82974858E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18825772E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00369734E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10194510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81221102E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53180927E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84057927E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88806476E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.87554102E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74059928E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07175264E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93815224E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82139191E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29083682E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66336677E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.59511629E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00529013E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66004696E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11949461E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34918890E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.14010808E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.91228482E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42151753E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.20389761E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70631797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86199320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.67165459E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58902591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19440885E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19293706E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20541501E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.51685039E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59534679E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.37563555E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04999190E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48896376E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38623724E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.16255099E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.95369498E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48822339E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.76224677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10798230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15963658E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14438661E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.91192057E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97278447E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39893646E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.31532151E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86542475E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.85234430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.35643770E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47791737E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03511896E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.75397318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26304832E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08685478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.01996824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20455009E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.83568793E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.02019204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29419877E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.42381890E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.74513940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.51441680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.37041350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "100": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.45915305E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44339800E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85347956E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78860806E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08755301E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92362567E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24815175E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46933983E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45551170E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12666940E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27761035E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52165355E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22838467E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97746179E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03848770E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58632934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03785021E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30375313E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06345481E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13787359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.00343270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62776403E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.19403898E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02613148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.04784912E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79722612E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11657631E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.11278126E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87977157E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48598078E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73007321E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82962870E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09020927E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.97786003E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24337957E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39985966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35762985E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01000354E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46758557E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.42876530E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81956278E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91887139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.97574520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74281672E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26524325E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.45409533E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29176168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.73735597E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64622153E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.53399957E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08608602E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.60153578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42837416E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.34077559E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03582887E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52842609E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96785065E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21555932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21623794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17525394E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.07327830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05133350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43245735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37500123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86630213E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.79249087E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.57978439E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.55173865E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06591954E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.89731409E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33336456E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12309300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.20332388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29373218E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.22945904E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.16876554E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.34127661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.40868700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.83897380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.66593010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.63965270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "101": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46008064E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44455366E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86315961E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79538873E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13285663E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95048686E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26307126E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54788153E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49574957E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14693418E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37902284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57245101E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25420547E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11244501E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10864895E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62420167E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.25545695E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42408416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12532159E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17492885E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19940205E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72611557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55527112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16732341E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22736273E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85589342E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18435822E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.33654621E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95073147E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71701332E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80783535E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10025956E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18751013E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.33995648E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38380561E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45702092E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60197307E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11941983E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51912518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.67886117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94548215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98117853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03067870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90602302E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34010627E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72569344E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38132375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.97828498E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70023934E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.69495180E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12271262E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.71548952E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47091176E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.52021119E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.11832383E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56871661E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.17352518E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32299560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27271888E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20603494E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.23374274E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12881499E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46518511E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42707692E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86317213E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71726908E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.80592272E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.62638274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09702900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.04199638E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40431793E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15969320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.38930495E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38355037E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.62286129E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.31565865E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40087170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.25638570E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.93412500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.81826720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.92219890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "102": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46077619E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44554652E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87171655E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80151310E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.17489493E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97596832E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27748856E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.62480983E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53554187E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16709746E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.48022559E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62314900E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27994132E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.24664451E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17821302E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66161723E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47522410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54602178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18784723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21248371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39933134E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82624233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.92550863E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.31197202E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41336822E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91631469E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.25228234E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.56396785E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02348186E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.95535703E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88841323E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.38152695E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28880772E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.71703503E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52986230E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51633208E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.85477738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23229068E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57215807E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93542187E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07436948E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04488324E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06448184E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07229376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41607473E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.00148063E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47188076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.23102986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75530113E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.85901765E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15998222E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83116631E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51397294E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.70134109E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20137851E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60917951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.37963732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.43046322E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.32917152E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23677488E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.39359936E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20538632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49719399E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.47179038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85612723E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.62708341E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.03337254E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.70135676E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12823652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.18702872E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47540478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19637949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.57627117E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47330443E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00132207E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.46037817E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45588473E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.04917430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.03201930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.97333640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.21963090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "103": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43699890E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44020072E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85991661E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80080629E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.19461112E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99493541E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29051215E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70196243E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57821098E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18976590E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59828625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68409559E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31154158E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41517374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26742912E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70992382E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.74020793E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69284315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26706447E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25904221E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.66529533E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97468900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06383592E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75294239E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.35109919E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64051302E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34576833E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89924820E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13467737E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33012515E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01831613E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.84578641E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45997708E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36950605E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78875864E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62408140E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.32618795E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44911664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67807872E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.45093885E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34166793E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17141929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13171788E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37906798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57336587E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69757443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81545884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.32189861E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05056037E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.02204493E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19695688E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94560014E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55645024E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.87956925E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.28294639E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64884753E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.58141261E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.53540107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38407805E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26647432E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.54552016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.27588657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52497371E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.47029960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82594708E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43530699E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.66564801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.91077004E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21752042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.61094491E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.69084530E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30950326E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.19059819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79564969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16250483E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19133344E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52542077E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.66240340E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.12995950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.20998790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.16870910E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "104": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43776608E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44112314E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86780367E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80660109E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23637052E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02144579E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30614515E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78823343E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62410875E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21358422E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72036231E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74633423E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34348495E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.58373577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35613787E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75784000E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.00473702E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83954721E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34553142E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30539546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92450208E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12046322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13245906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15527786E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09775767E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20892655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42530284E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19326116E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23363541E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66668479E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13560768E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26609116E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61497270E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.95895657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02149447E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72024978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.74341517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63918740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77154011E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.93304316E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60633066E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31437267E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21213084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81687564E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81325755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10116802E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53081283E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41490828E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90381015E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.36244094E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.11206481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71167072E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08159684E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.80816280E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29844293E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14964130E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.91677650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04593460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58135035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.07766975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02028359E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86433253E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.94567782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43406338E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.47158437E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05966202E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.54997022E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49176136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.92095969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37084259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67222944E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.23133872E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.90180233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73765689E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.02848600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25986687E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.74287040E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.22931916E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.44852960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "105": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38980770E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42917273E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83246033E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79660736E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.21725563E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02410234E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31235182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83701838E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65497953E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23131909E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81762169E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79841418E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37129782E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73599825E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43765231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80234159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26368064E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98453108E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42367263E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35183359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18216293E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26689294E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20134888E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54625552E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25128690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73134170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49981840E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47528186E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32977141E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.99648640E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25122614E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.68198699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76864629E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05433868E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25174078E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81499925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.15239545E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82439878E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86634039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.38405940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.83279431E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42157649E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26816737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07937011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94868590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16339869E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81685127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47519910E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10240428E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.52006067E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.47295248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82523166E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12455257E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.99149705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38366061E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19155392E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13198163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.15871218E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64192841E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.40642943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19705777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96202621E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.44952529E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71084979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.64658582E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16487050E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89649759E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63907961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.62191215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.73375839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86568774E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.30608432E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.48750926E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.04739355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.59070815E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00657920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00560300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.33010001E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.68889750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "106": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35457160E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42038613E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80629769E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78908860E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20276833E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02628125E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31733990E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87641358E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67999728E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24569500E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89639608E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84064438E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39408614E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.86372381E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50703666E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84095366E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.50202800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12018661E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49918732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39704918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44093845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41440849E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27145724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93279077E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40064516E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23186239E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56469499E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.73702922E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42137713E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31583532E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36438412E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.09199260E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92084499E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11234936E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48023335E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90880752E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.55585695E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00627339E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94642941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.76826570E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02641205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51584550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31820471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32330727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07671723E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22495208E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09437648E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53447241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26939117E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68622454E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.85285568E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.94450425E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16956213E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18322372E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47264343E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23527553E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.35641910E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.27647519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70521073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.75096102E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38292571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06578323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.01155450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99021849E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.77565490E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26397633E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.22192761E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77684551E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.27686079E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.07237915E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.04611174E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03043416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.03521945E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33988257E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00838060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.70829815E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20361670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.43230656E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.93110680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "107": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35507027E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42096203E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81119463E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79281032E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23213634E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04642763E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33004164E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95005647E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72065853E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26736090E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.00960469E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89920235E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42453388E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02677528E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59352881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88793509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.77078898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27077928E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58001806E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44518524E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70497740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56714132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34341918E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32066161E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54841657E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72318509E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64627625E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.03618643E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52304015E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66526409E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48719085E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.53449741E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08438764E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17442208E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72355251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00813869E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.98047401E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19645910E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03619418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01941261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23942117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61849525E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37230328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58445536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21433762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29071547E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.38665291E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60340451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43052815E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85490615E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.23775108E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06498329E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21487971E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37570307E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56174264E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27896664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58024740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39371084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76820146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.09330790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56779144E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16975636E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.58625839E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26583722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08697774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35744006E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.52790127E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90587875E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.88963896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.38843044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21435319E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12322035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.54647777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.61453156E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14948649E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.36150229E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36277810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.53594093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.17537290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "108": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33210010E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41526206E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79441748E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78820631E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22672032E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05154593E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33613628E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99445618E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74827170E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28314375E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09598308E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94541486E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44932608E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16455784E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66801926E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92898651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00227500E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41433178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65930879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49266600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.97071717E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72158524E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41716364E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70970687E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69594216E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21167181E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71337198E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.30602203E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61823444E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99987855E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60655850E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96907275E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24613275E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23607445E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96560647E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10687823E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.40159925E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38444101E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12451766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06126490E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44838498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71984570E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42584595E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.84538912E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35280046E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35754972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.67905360E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67224568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57730903E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02425855E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.62336266E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18530793E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25998307E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56666523E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64988073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32208375E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.80055277E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.50876210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82999098E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.42795824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.74849296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27204972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.16088456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.53675418E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19394440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.44773097E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.82252239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.02968175E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.47684794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.69054316E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37503048E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21164248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.03493324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.87795003E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28540448E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.98520298E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54169620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.64101026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.42191150E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "109": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30946466E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40958618E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77725442E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78319576E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.21848951E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05512018E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34150131E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03571988E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77461638E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29843098E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18052032E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99097572E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47389632E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30184287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74243429E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96994383E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02771070E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55996795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73958264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54087461E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23972718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87921182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49315669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10375819E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84449475E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70330956E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77896114E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.57459048E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71399469E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.33909475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72825992E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.41395171E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41214757E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29942595E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21417831E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20804024E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.83155630E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57554506E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21385916E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10347260E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65850840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82195018E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47977289E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10928205E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49348457E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42576968E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97363744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74151237E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71266594E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19397533E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00089931E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30526243E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30479138E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75576267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73689519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36454366E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.01687889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.62134659E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89041566E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.75385232E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.92434588E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37204884E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.73125526E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80314345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29894519E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53635569E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.11089914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15051418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00493488E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.98446248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53125927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29750686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.51008289E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.13496288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41848229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.59300515E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70384250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.74751302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.67093060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "110": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33254315E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41589924E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79984265E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79245430E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26443215E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07977028E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35526095E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11112696E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81515762E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31972344E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29076929E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04764578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50329578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46015677E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82673311E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01574261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05483617E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71388497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82377597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59115206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51524990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04203523E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57169759E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.50574382E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99521117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20328724E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86994832E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.90251766E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82590439E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72660471E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86537548E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.91044553E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59609860E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36919379E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48627065E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31805338E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02959628E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78053027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30900464E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14810012E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87943436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92883374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53597727E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38334820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63980578E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49634610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27534756E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81325893E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84149215E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.36384173E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03941689E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.42470712E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34925607E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.94280714E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82271035E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40631592E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.22912115E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.73143784E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94947650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00710469E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.09530918E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46947963E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02954652E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06534167E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40240866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62439207E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.39654991E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26988553E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06142996E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.27395571E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.68506385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38196370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.97793069E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.38861178E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55019791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.19294980E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86550310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.85544257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.92259820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "111": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32129985E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41313127E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79173426E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79031949E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26504373E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08591303E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36137419E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15480604E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84244877E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33542060E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.37700107E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09376409E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52797262E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59735023E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90090348E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05628673E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08046938E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86189612E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90654036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64086385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79291309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20681808E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65252531E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91412153E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14855732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71361327E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94026210E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01874223E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92796108E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.09043009E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99664131E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03922974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77635232E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43800005E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75554568E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42701799E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07554532E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98286614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40259765E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19201098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09665041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03455711E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59167038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65717326E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78661608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56768753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57714537E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88398480E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95912697E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.53434322E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07800186E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54400666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39351868E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.12841443E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90761753E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44754272E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.43800115E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83939580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00734834E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03804576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.26181353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56430406E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08523916E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32348453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50448884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71244896E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.68148977E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38867118E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11758322E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.56118854E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.83760384E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.46567359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.44198729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64072029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.68146897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.79010700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.05238710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.96481792E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.17706920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "112": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27628405E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40133708E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75183492E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77517500E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20408639E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06113824E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35162724E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11720022E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82791692E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32972816E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35518513E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08595607E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52608657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61051354E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91261106E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06219260E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09447393E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95888420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97041859E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68158795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.06273324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36715451E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73867578E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.34970450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29903056E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22959771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98896980E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04256771E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01899505E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.42691288E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12091660E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08559324E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95177966E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50548547E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.02084729E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53455319E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12087285E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18211737E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49451329E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23518192E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31016949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13913337E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64685833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93074448E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93382507E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63973946E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87916658E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95385072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06608715E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.70596694E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11676755E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66352513E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43772105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.31321294E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99192247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48838236E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64440098E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94573523E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06431961E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06838268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42477673E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65674353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14018455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.57792462E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60543325E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.80084798E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.96677839E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50733614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17361771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.84736975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98953279E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54900287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.90406620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89215028E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81266297E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.38615637E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.24177900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.07562219E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.43450830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "113": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26564207E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39866817E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74422515E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77365178E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.21158475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07295461E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36171416E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18619002E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87076767E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35459317E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49347521E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16091577E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56640294E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82892664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03205829E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12975482E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13031738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15748622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08168254E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74596207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.40649632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.56996553E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83861196E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93962268E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57722155E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51258475E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22950772E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14195506E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38548142E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07780748E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62617690E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27813994E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70083150E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80335129E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23642488E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04722041E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34609780E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.21238577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97454758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44471995E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.28158737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55970861E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84700824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78221533E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36436593E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80752239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.63569979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23571621E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49490045E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.11290116E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66859908E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39220281E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08768842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.08703746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28499285E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13339353E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10374338E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.81724949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06216577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63711945E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.52644077E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33515906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10433759E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.58005214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.99541705E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49209297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29101515E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.29840881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.79894990E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.33836896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.05824687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.02169215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.96237638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.75970910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.14831388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.42948503E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03019500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.18788790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.69650800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "114": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25502639E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39595194E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73540204E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77067315E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20542815E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07470753E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36535866E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21737444E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89220455E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36768679E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56867354E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20255515E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58931895E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96091240E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10483800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16908478E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15644477E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.31209060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17161143E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80024256E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73072229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76363329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93814058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.54669754E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86374137E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07521373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28248145E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16539717E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47376142E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11041385E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74684888E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32320817E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87108090E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86846501E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.48927959E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14764942E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38726175E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.38739584E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05193815E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48004065E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45062744E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63892502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88902011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.97228497E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46826548E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85130238E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.85413909E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18861843E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09423019E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46077358E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74711158E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63264536E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17573481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.45254444E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45092382E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21401105E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14479054E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.03368457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17718763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70024067E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87166791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.52530825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.20707128E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01493811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.29553469E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61789962E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35864531E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.51803345E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89101027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.77131238E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.27786264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13716351E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05894354E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.09611076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.32511881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.31317463E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38837200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.30161720E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.96240690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "115": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27716144E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40183307E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75524325E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77809769E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23967370E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09280864E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37600124E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28046699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92903043E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38838077E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68134579E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26243412E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62105900E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13470672E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.19940640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22127358E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18708746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.48872165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27179656E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85990233E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.06637472E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96566370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04003435E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01772027E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16405429E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20026752E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34918164E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19496194E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58591482E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15223503E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90329429E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38232687E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09730225E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95623370E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.83558761E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28762007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44574490E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64103144E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16618543E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53305357E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.70867381E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76643092E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95553550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.30698171E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65188068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93992868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36628356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41153965E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02069403E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.89160022E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84439609E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.93073054E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28492725E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.90628169E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.65712715E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31443508E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19601763E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.30468393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32158051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.77974545E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.31155755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.76967207E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34357067E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08804086E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66643181E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76404306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42553854E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.73475164E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98163904E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.19700000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.49363423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25058281E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12049794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.42672660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49940949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01858987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79120220E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.41680860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.23224000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "116": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23395635E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39042308E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71663685E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76377617E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18589017E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07335338E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36970937E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26396175E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92750025E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39042228E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70288368E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27766374E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63087763E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20370801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24028714E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24257275E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20648388E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.61447606E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35432929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91090728E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.37631555E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15488955E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14108026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08035187E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47368104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32716064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.41478101E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22444768E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69876288E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19459836E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06258118E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44274530E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32907112E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04626398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19071685E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43086834E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50538611E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89856467E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28166812E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58651064E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.96804421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89427462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02214028E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.64080707E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.83575422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02868007E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89231478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66801723E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.97707589E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.35091124E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94803968E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.24777184E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40079648E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03866895E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.87503404E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42041207E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24999999E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58998208E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.47378902E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86358336E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.77729485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.02893584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.48933959E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16591219E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.05800523E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91490581E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49214833E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.95004732E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07147264E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.61846084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.70708711E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.36274420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18132991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.75382195E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67230702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10531308E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.18133820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.53346100E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.50598890E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "117": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25589660E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39622807E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73580777E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77055155E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.21438834E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08728868E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37769819E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.31102557E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95481902E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40571584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.78665037E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32284017E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65532803E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.34251093E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.31714084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28450220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23329160E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77383376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44769397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96687234E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.71913239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35865868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24658072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14580781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79419796E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45755955E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.50079474E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25887001E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82527515E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24107592E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23497767E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50750108E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.57553472E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14132811E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.56301977E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57984955E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56686094E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16151398E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39848795E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64014961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22626489E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02034342E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08756913E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96460376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01432190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11448402E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.40561230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93186959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92968449E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83574648E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05729720E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58130697E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52237884E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08894908E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.10258847E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53088086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30617020E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88645118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63215132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95080977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02633964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.29989718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64229268E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24755275E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46674430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07169726E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55874574E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.16482517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16090441E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00375884E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.91918626E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47415547E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24172009E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.07887380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84454763E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19184727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.56439300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.65156190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.78364000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "118": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24543434E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39342753E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72586931E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76655977E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20004310E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08342403E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37804335E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32550050E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96875536E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41569741E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84986815E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36021593E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67684236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47152669E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39087321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32521218E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25971789E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.93405284E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54206791E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02418111E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00527536E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56202638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35158724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21100065E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12227893E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59031719E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56226785E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28729373E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93590515E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28310998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39439154E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56830707E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.80943914E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23217925E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92013696E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72283531E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62573603E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.41242740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50951511E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69104303E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47054959E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13905180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14933937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02679675E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18229819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19602479E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89384744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19468837E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.86706817E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34050542E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17092956E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.92742965E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64817876E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14081718E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.33672197E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64430103E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36373690E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.18993191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.79447993E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04023819E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07633686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.57883329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.80009817E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33179571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.88745938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23304938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62557486E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.37987566E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25026762E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04559255E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.13069042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58520536E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30188065E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.40298978E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.01668444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27846072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.94295680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.77113820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.06521160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-ae3z.1.element.json b/basis_set_exchange/data/dyall/dyall-ae3z.1.element.json new file mode 100644 index 00000000..ede1a752 --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-ae3z.1.element.json @@ -0,0 +1,600 @@ +{ + "molssi_bse_schema": { + "schema_type": "element", + "schema_version": "0.1" + }, + "name": "dyall-ae3z", + "description": "Dyall's all-electron 3-zeta primitive basis set", + "elements": { + "1": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "2": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "3": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "4": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "5": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "6": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "7": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "8": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "9": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "10": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "11": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "12": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "13": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "14": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "15": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "16": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "17": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "18": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "19": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "20": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "21": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "22": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "23": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "24": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "25": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "26": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "27": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "28": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "29": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "30": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "31": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "32": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "33": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "34": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "35": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "36": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "37": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "38": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "39": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "40": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "41": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "42": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "43": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "44": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "45": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "46": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "47": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "48": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "49": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "50": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "51": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "52": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "53": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "54": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "55": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "56": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "57": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "58": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "59": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "60": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "61": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "62": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "63": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "64": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "65": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "66": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "67": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "68": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "69": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "70": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "71": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "72": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "73": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "74": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "75": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "76": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "77": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "78": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "79": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "80": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "81": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "82": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "83": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "84": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "85": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "86": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "87": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "88": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "89": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "90": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "91": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "92": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "93": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "94": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "95": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "96": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "97": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "98": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "99": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "100": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "101": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "102": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "103": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "104": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "105": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "106": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "107": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "108": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "109": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "110": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "111": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "112": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "113": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "114": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "115": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "116": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "117": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + }, + "118": { + "components": [ + "dyall/dyall-ae3z.1.json" + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-ae3z.1.json b/basis_set_exchange/data/dyall/dyall-ae3z.1.json new file mode 100644 index 00000000..8721ddcf --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-ae3z.1.json @@ -0,0 +1,134030 @@ +{ + "molssi_bse_schema": { + "schema_type": "component", + "schema_version": "0.1" + }, + "description": "Dyall's all-electron 3-zeta primitive basis set", + "data_source": "Data from https://zenodo.org/records/7574629", + "elements": { + "1": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.01657212E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34649031E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05473364E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62453493E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80494579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00896460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91394822E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60426029E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71243724E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23551545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93467565E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.72511884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "2": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40072588E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59090341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.16292739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30932047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51215959E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67601960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00126018E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84736372E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49139365E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12853138E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43108867E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95612906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "3": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06973312E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54595264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02740411E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89586956E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41196495E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38684376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31505511E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39211605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29034885E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.97331831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.34381553E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55490423E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46707438E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06434589E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99431320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67746425E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42782545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77535311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77240546E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.30116131E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22478016E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45878375E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.87090703E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04231736E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "4": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83205813E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.57491851E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93049738E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42828734E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76151050E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.33348080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46053217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01303767E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35324355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93804832E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71465714E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47833689E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01026182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13322544E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09713585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.64448228E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99814660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04950925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04947150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65880377E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96137454E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92979655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04771923E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.71919015E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94872657E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.66942695E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "5": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93788253E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30256081E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91729099E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.17438240E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64585452E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49405228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68250561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51497839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52312620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92666937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34129377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40073325E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76036838E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03056262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97655497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64212537E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13895437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82762281E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15187932E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92743428E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21335758E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96664366E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43921928E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.35833271E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92979801E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.29163721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "6": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25637995E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81272742E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03580313E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12628251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63455675E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30098662E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03486990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06663353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.87806696E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96889579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81289482E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57728142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62134214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03834234E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04771299E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46395646E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.74747276E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78836296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09850897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.47609037E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82091560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22603733E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10518334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03556881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05919990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.21638135E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "7": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71695092E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44953145E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41696657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50480183E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83958367E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72764044E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67046428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73213278E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17083422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.20267195E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33614567E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02717148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60512780E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42291190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46219090E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43328856E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08245932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92374865E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55057907E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29000400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52351112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78127520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89132755E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56793871E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56143189E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02136377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "8": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31109552E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25648035E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.14764591E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97541170E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32914299E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25272175E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67708707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54739807E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51764440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71690551E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97334060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18562343E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74294339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86470896E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94301648E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55312788E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43777974E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23568979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07194422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37152324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32239815E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26399016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.82035263E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23798726E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.43284985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40715844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "9": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05576627E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24923032E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25137786E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54260776E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11301689E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87846079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10594336E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51297401E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92801206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51146147E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73474292E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51152861E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04849945E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36723371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49295846E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82791101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84180600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.72731462E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66363529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07244326E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21897646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58072874E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.87053785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04464288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.66404926E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88500537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "10": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96947614E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44443048E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17525108E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21089589E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02006148E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60686567E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38211221E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.62889087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40137989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05814807E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61947110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88234675E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52704176E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93186695E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11489673E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26198672E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29555900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.40148544E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32657461E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33518856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21429760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92869104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.04818445E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98165568E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12359377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47554062E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "11": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12411711E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48138260E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11575176E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35793261E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61959305E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16853842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48747556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41535588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04056479E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68077529E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22022418E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.45495305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37672722E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01638181E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.31653097E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69635066E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66647730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10197855E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55060604E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22534651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20882492E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83480956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41479852E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.70193619E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37169137E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.79354668E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91848733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92778800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.48418680E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61912121E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46652179E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.36795394E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.38236614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54959574E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34901424E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.23794995E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.33464785E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.20690104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "12": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86922638E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40747551E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98080562E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32013324E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10055031E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42520656E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39199655E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18035656E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29536723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13567324E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90560039E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91564247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59243635E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55413972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67539997E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09706204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43688667E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65510457E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97564382E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55223446E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73140712E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48700666E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03026007E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.24047312E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48271870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47685148E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13314800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16669594E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83267162E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93974241E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66112074E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.79257217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.14977385E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10791979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.03864334E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06557142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28034492E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.32965821E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02328368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.41845761E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "13": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61331085E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31186418E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.76439892E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77512990E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47170610E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89046782E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.11885559E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86814317E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21953792E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41539831E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49055108E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16165181E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.67403256E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07092561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.11699442E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42262347E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12347602E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81455638E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03998302E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35924557E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45497969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76112956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12518394E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.80517072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07472125E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.86303251E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01277072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11022663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01002471E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04235601E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87877919E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72517742E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.41228477E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25083805E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08309330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.69930629E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25654942E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.77036599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "14": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41530473E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27842169E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.65273727E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25314457E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90330646E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37345620E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90109368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57379246E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51523760E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71186777E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07892478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43205781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80409952E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61953632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17570346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52952454E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61561381E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79314281E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30727960E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93795668E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.25086611E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42442725E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39753549E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99735430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61737833E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13832598E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99407219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50758517E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51126608E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21166016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10146928E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.42011080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25666735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61743175E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53325537E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.00102549E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50135220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.21961182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "15": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30723404E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34914798E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07248938E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77250805E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.44519213E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88995955E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07964097E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32091047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82719576E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07580104E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69682616E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71640797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01102009E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20986282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46219083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74738515E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14751786E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94037694E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59142117E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54310170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11130593E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10893367E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67788335E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22366817E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17958502E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40517960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15448646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96730743E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.20155791E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39444041E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33740093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19117536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61538131E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22607394E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07120534E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.42680845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89204486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.24814897E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "16": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31068821E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.54988506E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30311985E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34595703E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01354908E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45272873E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28508432E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12718005E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16258439E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53769447E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35767940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02044442E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30841798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84720189E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77267984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07267230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72231955E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12672292E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87471736E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13696340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29246766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77090540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94765599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.39618076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71664457E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66216311E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.36076883E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45183674E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99840640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59089629E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59670901E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.04258778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01345238E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.03950405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67732297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.97013550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.35159094E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.54654445E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "17": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40636873E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.87149930E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55657222E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97349378E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19769041E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06326246E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50714473E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99586549E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52292903E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11047251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06486231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34566619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70034857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53336757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10778651E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.50704231E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34305711E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37854423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15713735E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72030818E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46893921E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41173139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20711766E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.51214405E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22202630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89907772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55970929E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94516913E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08634057E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79731876E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88082047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.97778906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44997148E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00411042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34213688E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16287692E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.87488526E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.10734313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "18": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56667124E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29804024E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83141376E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65367591E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39689020E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72221320E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74628020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.92940001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90944261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27828896E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82130329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69343388E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11938854E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27141112E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46860868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.05354406E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01192116E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65005734E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45656966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.33026274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65209498E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07339194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47361689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06493613E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72977240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12561764E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.74705661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44540373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27909136E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04146393E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19210701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.00414150E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92807512E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22407920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06250457E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.34145959E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.47364833E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.99485367E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "19": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70979584E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59285638E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22263806E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83397593E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46481197E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83091338E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71250139E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64371933E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10383490E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83677665E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20624552E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04111682E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05274919E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48524676E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12810253E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51016642E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70553708E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12056868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.21390260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33810977E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20407410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08176995E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02297136E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12857354E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53330901E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85208145E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46425069E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96694702E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.96411185E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48832432E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60447892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.57563158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63397107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70328640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.09872309E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82073162E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77422040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.13683690E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18690952E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25843551E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02275849E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59819840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.15536910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56924634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.41992101E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83454480E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.72026651E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49672840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13400174E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.83838990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "20": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24633537E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42837862E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.00751943E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29634536E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84747793E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29259803E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39456034E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30105314E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37605488E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02118720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74354211E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29314154E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26431785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07018767E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39562991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88127796E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40174368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50403325E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26763672E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36765143E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68945740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33226125E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20740520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01269248E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18730238E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25751342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58388428E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35412235E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.49455244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14963927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90867082E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02909007E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34940922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06108027E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.98365115E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.88868809E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39840754E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20321460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27043196E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00808590E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73705919E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96064660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.32840960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97367339E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.97722478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16309249E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25122551E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70179250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38907420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.95815720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.48691880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "21": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45447409E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82136942E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91303344E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53975100E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59098442E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54409491E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31956547E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66621673E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52917975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69607626E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05317969E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44000837E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98040060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42478708E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56321259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74415691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84447242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71293970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.26954122E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80469628E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65621219E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83345359E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24910074E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41050190E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63613429E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.61329362E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70627419E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08756329E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74280229E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17982037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03193984E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97968369E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36835634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14814186E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61293764E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73740335E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04592373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44015183E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89251896E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.15663262E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.70653467E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.99202020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.05339500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74691673E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.53699933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16875746E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27887870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.83821951E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17414995E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78537449E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.45197328E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73647022E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.56760335E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.84207993E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.83909460E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "22": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72762353E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32300748E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10634454E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84791572E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.52846549E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85996046E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04761523E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11910047E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71644571E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.50666879E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41824047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61019183E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79716207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82332700E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74866163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69401662E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32841888E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94244223E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36871023E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.29893642E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08977354E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32478677E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43587229E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67794424E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08215829E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81010886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11221712E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24587220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42005706E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48878879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17878346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69661782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71663309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31760469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41979719E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10760198E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16284658E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.85072666E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03416009E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15545281E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41889182E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27448013E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.22392958E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27924283E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.99812579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.27648098E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74912833E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63265865E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40747200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63941223E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.01613785E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.83850370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.25222317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.02158221E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "23": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95584820E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76905464E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21166351E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13532190E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41379976E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16079568E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15830978E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.55412899E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89713594E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29339259E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77501696E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77772871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.60695704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22138282E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93465769E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.64862019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81647846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17422583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04694822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79289448E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20590184E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77555229E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60722434E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97917644E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57648787E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01184487E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55190281E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41625098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.14558781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81869200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33522967E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.45871962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08572256E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49640435E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26506454E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49137031E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27833592E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24496899E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16608224E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37270489E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06303942E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52221188E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.28078566E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75849341E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21954483E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.25350849E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15843824E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.16813754E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.65587127E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21852717E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.63713985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43236226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.19043852E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.02483041E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "24": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23722214E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30322385E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33715295E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47578027E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04552789E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51159501E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28638411E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05433598E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10386443E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.18979484E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17991468E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96701639E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51682025E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66534901E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14102942E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07019215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34888299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42049718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16329541E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30805738E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31924422E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21860481E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77480355E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31772578E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12398785E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15479981E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02788701E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59951488E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92236071E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17071694E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50178036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26823058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47657993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68494920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.15083842E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89008038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39407960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63084528E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29182057E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58607501E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.69480172E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76449487E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.31584809E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22721194E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43324988E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.19533238E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54849078E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.61006770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.02407452E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72712177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.03969696E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.49342542E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.85507624E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "25": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40822628E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68665059E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43317123E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74463790E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12935387E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79835589E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39243458E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47276433E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27830227E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.95219252E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52696670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13074973E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03141556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06228110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32952349E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16756228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85133651E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65918944E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27593658E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81427725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43108302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.63451933E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93067637E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69702271E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72928121E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31074421E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54230499E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79629268E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.75246441E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54563063E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67874362E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.12651139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88985546E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88362446E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07953117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30504984E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51065134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01100222E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41277178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80163196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.33217964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00846081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.35884857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69908810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64752820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.13343983E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93334661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10151349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.20034194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.24318783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.45251458E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.81531812E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.73114838E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "26": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65104362E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18786587E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55591169E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08643739E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23579719E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16116009E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52585746E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99617655E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49524251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08947152E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95334305E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33040295E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12758740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53304615E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54859654E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27948333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41766282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92075903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39866101E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35533250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54381067E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.06043670E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08896826E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12118421E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.39799601E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48076924E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09794220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00744729E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63895351E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94461240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86659529E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.03556039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32649576E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09293167E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00538481E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73757219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62856134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.38760048E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52994557E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02219425E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.98343248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25736942E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.42338924E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.18032277E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86534411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.08187360E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.31931010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24089509E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.49627044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77682937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.91200390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.15294608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.65024467E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "27": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82208420E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.60689663E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66556157E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40045266E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33492420E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50240882E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65252510E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49736454E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70447802E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18087479E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36842904E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52536934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22187448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99779196E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76719203E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39162442E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98935242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18724669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52371795E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90892247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65899197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48969406E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24642912E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59453363E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13605026E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66600602E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69761164E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23382073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.58468781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36872923E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06576162E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99719354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78728981E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31316779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10744066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18748049E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74786653E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.76104080E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64373645E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24929513E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.65297567E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51294715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05166101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67412190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08822889E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04794544E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.70969286E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38050186E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.80743454E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.33463515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14352792E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.51620257E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.63803944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "28": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09417454E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.15423112E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79983714E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77470371E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45128984E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89825079E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79771162E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.06473127E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93857560E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28212016E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82455518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73820181E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32415198E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49845610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00096535E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51095766E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59353474E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46552824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65392148E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48253345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77577209E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91899313E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40256008E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12190993E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94990484E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86766622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34433298E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47633882E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05929234E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81923359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27674802E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10135094E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27315103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54478781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21436253E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65600768E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86895927E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.13293631E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75481037E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.48391727E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.34357337E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77626216E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16429265E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18245777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31711702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00360891E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10650744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52114902E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.13384571E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.92057615E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30336632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.92463832E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.74680642E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "29": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17836883E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47963329E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89703427E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07242257E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54918932E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24357127E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92770015E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.58342379E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15656545E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37795134E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26241548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94505481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42469346E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99623580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23612341E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63159981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20815728E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75100972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78750651E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07220205E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89582353E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35577026E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55957396E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70798341E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.84614925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08701673E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04103966E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73578742E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16660415E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29694339E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49988133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20860387E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78498450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78821543E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32629877E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.14347547E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99182991E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50327929E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86331229E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72681961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.05733091E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04811922E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28056495E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.70680231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55270735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10495806E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51119083E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66339036E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.63351158E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.50612052E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45696848E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.42224313E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.05555984E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "30": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39435425E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99808344E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03487339E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47424182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67782093E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69008377E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09406092E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.24208227E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43119918E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49765056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80432517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19847238E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54645939E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59114037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51719909E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77583427E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94120643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10274932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95823890E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.88071260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05027372E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96124991E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81012871E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44385455E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96245884E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35714451E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89174535E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05078035E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29636716E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87347840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76896978E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33827563E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.40959874E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08816213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46400045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.73631515E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12917749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.90937835E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97825650E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17340924E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.36732102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.55293077E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49917368E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.72204198E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03683220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33336105E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.55414758E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09361233E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.83197700E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.36242615E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71948900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.03365893E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.09012380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "31": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55445959E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53805914E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19617901E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97356169E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84366401E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28039247E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31796696E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14019784E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80916474E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66331442E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.55624758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55009317E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71490540E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.40892083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91430040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98206909E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.99972969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64904841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24139583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03349674E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70644104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22830759E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23471170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.08808822E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44309931E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65650470E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19291003E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53605376E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90707869E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.60219479E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06184271E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98041541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.77666289E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66475578E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16284487E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62156734E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06986778E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11755278E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99871898E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92523211E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15654755E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.40247675E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87021090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.47094152E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.89826857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76032088E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.66908542E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14030786E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08908959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.03818330E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.53690930E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.10609080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.29394340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.17685060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.73593850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "32": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75343445E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02023082E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39819004E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.61845733E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06356833E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.07305542E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61881785E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03382598E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30984371E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88246484E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.55288416E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01557329E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93598891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46758326E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43298975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24480986E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13104017E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30652312E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57590746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20096394E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44413215E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59544469E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79702298E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07773854E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69205977E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22981657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36598719E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15827086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15833398E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.70507356E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57599349E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23033382E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10288618E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27537145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46478757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11484652E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75937004E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42823716E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23725801E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45122340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30971213E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.98968707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.12546986E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.66244163E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47315611E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03779022E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.94903250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90445404E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38367632E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.44566020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.71519130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49719050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.66656260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.15897290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.48492330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "33": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84037754E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04741635E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48021737E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.86570276E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14335233E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35442200E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72727398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07892387E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50695885E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97163634E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.97096621E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22025658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04068671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00200794E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72249319E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40440526E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21993854E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81855903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85054141E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35308984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22412844E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95986625E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35217158E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25921678E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95770521E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.83336399E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54573419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.79762466E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41444066E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08218676E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09372511E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48073813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22761324E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88544562E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76954531E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27234366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53033238E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76018660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52968218E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.24946231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54139147E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.87896006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51450329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14965785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37984525E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49289704E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12673049E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78844260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73973970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.86810460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.94483660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.90802910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22852480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.79380230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.27408280E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "34": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91257405E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08552012E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61077716E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30096950E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29512815E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91241162E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94328145E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16654357E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87830978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13558305E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.72184945E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.57532086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21313616E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08741085E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15373572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62925493E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33734473E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44316383E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17617127E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52559166E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06373017E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35390677E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00275324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44232694E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22428505E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43169807E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72167334E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41701325E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66053736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18875922E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58471891E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71705069E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34466258E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.45923055E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05885736E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42500468E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32247165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10016659E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.85965836E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.99466247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75672026E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.70179219E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87377103E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31862905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.21101127E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90745782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33269967E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74576990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.12553180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.29592020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12276080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.33897250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50752950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.62749660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.10287110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "35": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15532200E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14812366E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79022382E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.85300079E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47851458E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.56472677E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19006342E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26519798E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29302905E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31783155E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05532345E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96619290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40148562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17991277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61745704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86921977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46201787E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10371231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51941039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70755420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95273831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76751762E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17878343E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62032129E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48207234E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00386082E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88786464E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.99612387E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88874390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28688356E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.03364193E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93184357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45023649E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97509644E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32036019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56522324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10870265E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44061786E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.20998554E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.78600736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98442380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56941673E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25242088E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49677211E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.08866174E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34689761E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55224006E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.77301296E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53829111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.73543750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25650340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.79044340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.79715170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.61019350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.97130620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "36": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17991323E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17633306E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89878976E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.23363353E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61516067E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.07657147E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39150797E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34834584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65094954E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47770238E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12920507E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31866563E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57438888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26649609E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05799044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09998310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58358314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75114559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86196588E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89263435E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88241566E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19462923E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36130944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79252643E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73044757E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.54946010E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04447512E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53632486E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09979671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37692414E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44218662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12578540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54446498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43056540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55041350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68783305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86733279E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77532298E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05671028E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.61271060E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22127617E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.46930426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64474259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68131637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.99833116E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80352489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78113476E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.84543548E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96354748E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.18930240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39583200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.26275930E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09744120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.74331150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.87951440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "37": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08767232E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83371171E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18347777E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62874001E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58642951E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05499075E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03135053E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30729427E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42545267E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.39369988E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97082409E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42407022E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01511850E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54004530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82344036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.52282397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87014426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58793768E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37806594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99803200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67443344E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91288086E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29378663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03569873E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88410026E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70047420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76439080E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89943874E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01896362E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81779748E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66060143E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29430683E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85631990E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37338110E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51645406E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41072625E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11946882E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41413833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69585869E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35485131E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.83574530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45397456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73752459E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.17333391E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72813018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65446097E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.51815390E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36553789E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93866375E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.98776019E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45065186E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17222527E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58380415E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.89820275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23604465E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59392728E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.00075065E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.01623134E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99203874E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.40111233E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.76509439E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36639330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.43202372E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.66376770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54186010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.76050800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.13612248E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.95268640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.83284100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "38": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.26818774E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93389725E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61837344E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80350379E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29267831E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34628991E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26830327E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84858404E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66995286E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53303961E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51698704E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69279425E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.37083181E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23994238E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19183724E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14698926E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83858288E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11458074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66434325E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61012132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51896303E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35365202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08128826E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49446470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64687364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30234500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23524259E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68625194E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78092267E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.61401273E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.80589089E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53828331E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.52410055E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59439007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35525531E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76177253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27773118E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16757439E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07052085E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54469033E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.90871380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06644462E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09840565E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02995272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94556182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33586520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28758348E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69974893E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60536749E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64614044E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.71488437E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78633889E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.77953698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.65413423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80392165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.09551307E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59619753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30127783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10308753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59122541E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75087430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.68010638E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.16985420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.69433630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.28251710E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.56145306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64628200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22699972E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.08302320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "39": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43512088E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01722594E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99876484E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96410954E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95741170E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62176475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04393466E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36307122E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90358422E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62642841E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04320047E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95201691E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.66807895E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89617820E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52648315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31716661E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69113704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56930851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90767701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.97363639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18773089E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70078664E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25681387E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46061267E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11633975E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.07281519E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50106792E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10399420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40608328E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.94368033E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77875807E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17377730E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80655136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15150456E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09206909E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42549780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86648635E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41538248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72092932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81245276E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53338641E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34584416E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15966851E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61795988E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66255173E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53703844E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14874117E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77366098E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52810453E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38369680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66181548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.22286587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38199457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66119505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.29183202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.14141669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02271969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.06638979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81152694E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52033281E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.61996761E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.65929520E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.85358520E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.83037570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11534430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98128970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.34356880E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.11452300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.18725380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.98465900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.61553000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "40": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41913036E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01961442E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01923777E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97382525E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.00801456E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64868269E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05785673E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43304941E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93797505E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79467206E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12673613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99497598E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.90117836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02877801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60405961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36370107E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.97803346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74041157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01030682E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05880331E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55744188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92544032E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39549746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18479454E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48296652E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04756548E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05773642E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32140536E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27496342E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.19159130E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04110973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87561805E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03330436E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99478042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43932198E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57989471E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.59322894E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77228871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90219280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.75195592E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02487300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60993012E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30273782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34720069E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00632478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07105157E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56921369E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91991897E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64333519E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.70169718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78002413E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.73282584E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.62162010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78020947E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.90076960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46389304E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19642932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.96447971E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31951484E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78369564E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.79901154E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.19818140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.01880610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.40037390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25470950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.73951700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73882860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.79609530E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29560930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.12817430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.04272500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "41": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30767525E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00104183E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98814705E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96971653E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.00780182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65151028E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05936238E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43771861E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93872529E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79256882E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12370810E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99321611E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89750313E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03361828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61232463E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37268878E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.04786621E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78372507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03604260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06855208E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69265584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02816657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45575066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41153959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54293603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.81041128E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79281562E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21201747E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09001198E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03607226E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28531763E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52149984E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23921398E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.75121154E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74751737E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71557231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22567032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07975585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05605013E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05399819E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44003972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83566379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42558496E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97381825E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30336506E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16647495E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90147042E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03587350E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57687774E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51473934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70954700E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.41335166E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.46446207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69558350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.42052768E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19974229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05263858E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.33490109E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02048782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63342997E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.12639417E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.68640380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19030750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.99390460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01820860E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.91833210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.72777400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.40819230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.33556320E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.77852100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "42": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.18593067E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99699637E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05526774E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01462746E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23841742E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76063138E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10994167E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.67302668E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05007645E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.33124218E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39001238E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12706196E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05780714E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38299679E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79325745E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46674080E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52482955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04021302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17464560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14337867E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11645850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27041272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59303796E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.09571039E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86493465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06707947E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10470125E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32696610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13851361E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18709071E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60089746E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.35231022E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50218302E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.71143141E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13732017E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88698607E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02591794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46977280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25238609E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15277331E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.94498091E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09951147E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56553846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66467667E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62105632E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26317930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23241359E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14744982E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70566193E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.86935649E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84119157E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.98119496E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.73102973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82769311E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.09288136E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54976916E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23439895E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03519349E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54213168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87647397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12932516E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02668080E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.36733420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.60730680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22376520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.58162020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19387330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.52472710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.90566690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.30188900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "43": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33028930E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06262239E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35714186E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14608662E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80962351E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01006658E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22079543E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17605640E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28373479E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04399326E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92577508E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39037067E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18929570E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04883678E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13404169E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64167382E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43183703E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52926728E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44103200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29549498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89111323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69119618E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82681782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36864259E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53996401E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37415440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32676785E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81322390E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.42548166E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37256242E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98728678E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36543338E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82196481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08769718E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60966449E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09426687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99226419E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94031666E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48959911E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27038246E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53816241E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40762880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72076108E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.40856730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95430692E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36016700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.55583764E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25219701E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03741054E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77957239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17864368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.44732572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.42563878E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17887084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09360564E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.53665838E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77280582E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31884351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.99181372E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58207470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01956168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09251440E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54999860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.24098840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45234530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.43195220E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47731730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.64526980E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.58696320E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.86232110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "44": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.17858316E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03366447E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29674310E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13441297E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79886144E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01443954E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22416412E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19751238E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29776946E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05222850E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96862058E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41133341E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20003645E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11144722E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17398756E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66766932E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58485227E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61520538E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48671659E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31277302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.06188622E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80066287E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87889104E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51526064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52319203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22319135E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.66997501E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53337817E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04758390E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52407113E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30134723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.17927213E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07469640E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17833842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97182981E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25119516E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07147064E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28772055E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66155173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35712811E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.99187749E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64999923E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85124813E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.05363718E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25210332E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44336257E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82788313E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34125463E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98609744E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63586077E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.12459562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.20082450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30306295E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11135636E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05397318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.30540561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62484758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24458045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.59221072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36138481E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.12490555E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14827870E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.73925980E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.89943430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64059730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.94623200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64874400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.77011810E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.00670730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.35569110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "45": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.21003901E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05962006E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44610005E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20547899E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11533474E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15382542E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28692816E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.48079939E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42641166E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11250488E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26538253E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56423476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28081802E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53997949E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39988830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78515822E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16359229E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92166951E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64840342E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39721850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52756116E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06122152E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02608623E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02366296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86011047E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29673881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93318562E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62896757E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18290311E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71954400E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70655659E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02266956E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39856123E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29403366E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43283222E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45064056E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16331210E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72983091E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88144099E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46612950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.54937684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94260773E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00254525E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78321661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58030420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53197599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.11357424E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43126879E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13858801E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.04979049E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27696915E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.85486218E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.60954511E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26341294E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13170176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71305720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.83610097E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35475842E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13480226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60946883E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01406408E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21186940E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.93421650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.57826450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86028500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.66866020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88955400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.89899270E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17513210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.91710720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "46": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11571378E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04156824E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40980911E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19982441E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11550176E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16023497E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29167561E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50874547E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44161884E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12038431E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30442147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58254112E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28892265E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57572815E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41803663E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79751444E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25139679E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.97949543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68662653E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41643975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.72834288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20396541E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12647100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07338486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.11162053E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36130435E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13211689E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70269194E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28847344E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87212859E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02103887E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10306125E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64355987E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38026853E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.77175033E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59536869E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22902680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04189480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03358317E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54334659E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.96096618E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16389070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12494390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03962413E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86749908E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60876306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35760958E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50853813E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08586264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.90268263E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22161766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.60245280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.48502139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19514292E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09314442E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.49253600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.68664583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26393957E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.60097245E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30332690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.60887284E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26911630E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.13737510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02888430E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97981370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.85290660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95096900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.03312740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.33002570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.43341940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "47": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13686102E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06092636E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52580240E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25845582E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39904851E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29353792E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35413925E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80450716E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58420713E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19034262E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65258027E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75748414E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37754396E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02947689E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.65338908E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92070834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.90113422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33067749E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87668282E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52068008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30198766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52029976E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28580744E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15233290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47118690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43343513E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38640955E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79165402E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49071527E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16591750E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63029191E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25969588E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12303826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54981797E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44190760E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88359970E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36135235E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.67769267E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35045670E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69714178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72926322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56005706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31876443E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12947874E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25472128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70689381E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66435941E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60013998E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46826769E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.93808672E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60261025E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12488450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.26169761E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58675689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29711217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58318425E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.28888782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58762927E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.26906522E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12428867E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22366870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.34468470E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.34445970E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10117360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37680450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.58521000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.52840340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.17032740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.62875810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.42919330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "48": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.89071917E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00899377E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40330953E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23026019E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.34248649E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28767707E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35760229E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83941241E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60632150E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20271592E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72012830E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79541933E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39977454E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16361970E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73557333E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97172651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02175520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52086545E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99117193E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58782437E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.75154371E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80825980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49714461E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27246742E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18835547E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82516466E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99072098E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43895456E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69140839E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45979997E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24037706E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41589189E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59727855E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71601136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09360664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16194338E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48832589E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.28426575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65089870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84343579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.46581972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94042835E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50552204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21631949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63120729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80059568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.95515015E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68575922E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84652381E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.95224686E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97358227E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28441382E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01300907E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96467964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49449578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64081796E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.87222530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90266310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.91299749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94585758E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59146030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41766510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.55786590E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17576370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.62069000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.39673500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79891200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.31185380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.78753410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.95844700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "49": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.88285108E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01322180E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44319731E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25305646E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45791027E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34289156E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38370938E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96330036E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66599861E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23197689E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86611244E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86966766E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43848567E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37122965E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85011377E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03678183E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05919921E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73915158E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11997725E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66317520E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24803137E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12394788E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71488961E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39886979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95707144E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27003236E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03070733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47969655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01267710E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.52883982E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60155878E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20058700E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29911106E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.61064689E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82802263E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89139916E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63625555E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75951911E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82062597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53208370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33618738E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20350914E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27461084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12494860E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52201368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.03356107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45233343E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.37972784E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48547075E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.53599087E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49981056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.51929048E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37010093E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11525514E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.55864522E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87852136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51563641E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.08391902E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28620339E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21331674E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10382616E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.30206236E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39763470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.86616184E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47488160E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77772170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25271360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.02133570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00487780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.81789580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.66497420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.45774340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.04007130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "50": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74534402E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99067942E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.42651511E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26767650E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58724261E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41934390E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42421167E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.16871088E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76879156E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28355618E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12815896E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00493669E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50942383E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74886852E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05407833E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14824953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12075676E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08743786E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31890244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77951378E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.93225188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53108388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96897898E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54241230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80222349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74016006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26412099E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53500260E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61980376E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.50526578E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81275782E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74666186E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46099329E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15260775E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03062504E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72200721E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00272550E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93106728E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.65908914E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95791320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55941371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31828770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88259247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44761101E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69239648E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93855133E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85023748E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13935931E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36767301E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25274119E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68298402E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.17043940E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64357763E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24314710E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.19714288E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.21431431E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69744422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.09025481E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.85305289E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53095738E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27898151E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25394670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88425001E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09938726E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55321180E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00413000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33204850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.39106200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15637110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.27041910E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.48626760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.60805700E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.29281090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "51": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75339381E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00285955E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.51340658E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31641818E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83930931E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54360602E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48496438E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46579639E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91512222E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35642277E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49617816E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19380445E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60799487E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.27184660E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33547136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30085051E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20490009E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.55880977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58553371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93639956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08012259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03108721E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25514803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70084983E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.70895719E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23290363E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50488113E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.61020954E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26309595E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.54604330E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03869693E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.33132624E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63403286E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72969244E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24533694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.59834078E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38783846E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11074464E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05356011E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40269005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79252628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43818063E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.52036006E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78988192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87515067E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92972699E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34499004E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36544503E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30225540E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.05315649E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88616736E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88872161E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.94388368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38310455E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.89443168E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.58037631E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89580022E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01889566E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.47370762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88147982E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47385029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.31984484E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43297470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34929640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63246490E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.23710180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41378330E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77151210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31217890E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.85180770E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.89884920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.76281410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.55220940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "52": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.47672242E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94066595E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35544412E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27817855E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76531836E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54056208E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49337516E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53773421E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96154542E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38385471E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65224478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28106906E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65649405E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.54164467E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48638503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38595708E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25284678E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.83304446E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74325905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02660117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13678715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.37321695E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46361798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82700904E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49667574E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73421082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74432211E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.69852295E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.85083154E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05425035E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25968945E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.91042343E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80644604E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.30505497E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45894053E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04675826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76888349E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28817507E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13999369E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.84042140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02114726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55580857E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.14782844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12736661E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05614029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.92575451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86304109E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59850872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26035604E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.72841693E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05595772E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.48464255E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.19176371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49807061E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46548988E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.87895755E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05693190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10790207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.97227758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16027853E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62949691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.17853066E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.88493090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58544670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71139260E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.47671190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49792980E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.16446420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47294370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04949990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.43785420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.92204100E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.81868980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "53": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61756518E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98499834E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53957214E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35962458E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.13522194E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70734024E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56935233E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89053926E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12885404E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46488985E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05395149E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48460929E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76151822E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09201527E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77869334E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54278618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33857601E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31570569E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01877937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18928389E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22824521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90064889E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76855245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99745852E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04772815E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26461992E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00283038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89786351E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53102094E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16626810E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50450395E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.54458986E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99322399E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92087351E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68460786E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13747028E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.16210199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46939828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22749162E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27994973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24873708E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67236049E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.76792968E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45890514E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23380612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09114802E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39293154E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83607745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.24033576E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.62797082E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28130470E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.27325330E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.51901205E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64968565E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21833666E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.27290877E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27033664E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22606013E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.64007859E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.53920694E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84184721E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34887528E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.49337100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86444650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.79264150E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.72296760E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.58450030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.57120940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63913590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21693500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.05977000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.08575010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.09261160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "54": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48423264E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95885756E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.50058918E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36607377E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24863019E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78820775E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61704848E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.15003854E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26552168E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53569844E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41759707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67129605E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85801382E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.59489204E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04269972E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68199832E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41151661E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70954371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23373885E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30914483E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29810095E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.32385894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03606176E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15735140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14324160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84124790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27819260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01342458E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.10131557E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26524380E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72618852E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12720009E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16623676E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.49333216E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89448485E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22174491E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52689742E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63727568E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30846524E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.68611444E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45840034E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78019021E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.34468903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76710191E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40022684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18493691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.92315492E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07474884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.23332857E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.56806256E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51543754E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.08866259E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85620914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80551164E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.99140065E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67714973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.48946885E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34747076E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.32692316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92993904E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06167169E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05656103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12785410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15222000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.87499360E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.97594480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67350830E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.99356540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81159540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38446680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.76723630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.25395160E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.37429050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "55": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46013948E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95239765E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47858799E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35926991E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23772617E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79241253E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62263856E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18883181E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28814095E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54847766E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49162288E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71451522E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88270827E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.73175836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.11681588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72262572E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43399077E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83643947E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30251793E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33386940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32602505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51049587E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18003562E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28157856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23685235E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91374788E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98268826E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44830456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.43981270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27743147E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87929476E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06102307E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10396530E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43948696E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11897001E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16628433E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47606100E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.52122855E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27232141E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37396752E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.18824831E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94301580E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45673921E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43534104E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85708541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00630763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06932858E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.62603379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89349722E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46565095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60214345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05354627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35767010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97423139E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54583510E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60300028E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.58971303E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.76506422E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80894082E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.60020316E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81731735E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31874292E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.55132951E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37809717E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.77679042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.47615462E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00701034E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57833310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30242508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.29345754E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79382752E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04582820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38502110E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95476010E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.23578390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76501380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.43668860E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.99304060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.63575043E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.10966020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.42679200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.66665530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "56": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28086965E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89790764E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.25586977E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25800485E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.74618158E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55153677E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50409573E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60417226E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99760198E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40222266E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74287504E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32477599E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67709698E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63638149E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52943559E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40932382E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26816951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88200023E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74183377E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95118184E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10344180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08256192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18054891E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68813429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83867704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20291415E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06335810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86002370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84048861E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09846152E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53305840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.97190043E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59658232E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47800159E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.12160846E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76219279E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.47007346E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61907028E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51254788E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78578031E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21745021E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58915454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.10054941E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20788440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20721993E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18944851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.37282594E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34027771E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73499305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36826016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09661813E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94824110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23590520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35388561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45643843E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.51767149E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99851226E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.26579395E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09447914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44739556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.19015565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.71283436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95671159E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04718100E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56405651E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88634175E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47287376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.23682363E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.33032812E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29802090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.69569954E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.04351650E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.50257750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.85905110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.90063720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18316630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.51074070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53761100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.38639360E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.60424350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.96824520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "57": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28338123E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90549055E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.31825220E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29672396E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96380957E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66522057E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56180240E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89304983E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.14214608E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47499311E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.11329939E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51591761E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77721815E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16882362E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81658670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56541550E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35070272E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33891990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99539713E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09370575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19066310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60485812E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46112394E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85798204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90657121E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80671021E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37418211E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24997801E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71707171E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77981908E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08368032E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75393681E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83956028E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00866487E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05095529E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04243012E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.96608995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65050782E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.37759521E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48788672E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71906129E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.75007083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54559125E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38723132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28966181E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94921551E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65571312E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91266737E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36050901E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63095831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20744703E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19018986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69874571E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58799802E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.53815253E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25410919E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.15946860E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.46547049E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61947065E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.04447030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.16130026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19819959E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18118485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.31646862E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30070342E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69849430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.35573260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.56603843E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44726227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43753571E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09280160E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.77630210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95559770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.38585620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38265450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.34542960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.53557050E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.94199520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.78631580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.28068400E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.39474190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "58": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26682072E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90255285E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.31643616E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29969378E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99010888E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68072257E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56999740E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.93471656E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16342778E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48617206E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.17425534E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54997478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79642400E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.27834296E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88033677E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60418680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37954576E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51871232E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10689237E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15935402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23095541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84864182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59492106E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93160045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24515392E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96777106E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45443425E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46456099E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80226709E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81654853E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15115388E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87861271E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12755670E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08560434E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28060340E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11789085E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23832387E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75774366E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.83331258E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69411098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81712112E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.23504390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.79349382E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51594307E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35869594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31878463E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84900109E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01068403E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.80797861E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.83446304E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29532222E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47504695E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80640293E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62453465E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.96380310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.35942199E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.52317447E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.61481547E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68763723E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.37818765E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33238089E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28883676E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23012545E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.57870439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43772477E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76663085E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.66564021E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68406994E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48647306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.54968947E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.46917917E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.43590908E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.56922639E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63662982E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.92914858E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.90394373E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90796228E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.06859731E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.07826858E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64123882E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.60492267E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.97251180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.60187220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.26644700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.54634910E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.46226520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.95069030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "59": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.25476377E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90240462E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.33335453E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31364409E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.08125890E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73325858E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59844760E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08224292E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23809632E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52360140E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36216645E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64517828E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84537679E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53323016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01372361E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67430497E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41523044E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70502661E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20761202E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21197173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25727762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.97198564E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.65967584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94591399E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.01094366E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76498578E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32837183E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40506742E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32900327E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63563932E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20065422E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97148362E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34300595E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14312841E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45157425E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17357496E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43654847E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83462669E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.15494299E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83733062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88408589E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.56059692E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95565505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59724893E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40038978E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.51980715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94068724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04157423E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78828326E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74146736E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22418746E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.12706476E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69413819E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57121901E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.37749560E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46138887E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87402054E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75843761E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75297683E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.69715314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.49526650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37486120E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27629329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82349925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.56401402E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82810287E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.93574063E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78302247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51780851E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63198788E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.28598640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.79147188E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.27985651E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49284136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.16769074E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.46761175E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65243058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.57328175E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.25056726E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.23536356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.69494403E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.17452640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.21893850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.44451670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.73872630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.80259180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.37340510E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "60": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24995022E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90568935E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.37055469E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33930501E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23422496E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81579319E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64129959E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30117672E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34999401E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58091325E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65668476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79731548E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92455150E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94948146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23544512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79395290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47947415E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.05877334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40323233E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31608164E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31742401E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30974269E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83585867E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03701050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.40696718E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95616955E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41471002E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56606307E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40227902E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66890855E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26902027E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10165765E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64814142E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22530944E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69782656E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25444306E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72686895E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94819647E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63419696E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05282734E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98599852E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00623242E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21104531E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72993402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47155708E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89997266E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13813021E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14030790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02258729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.93504072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30551758E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.41570106E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80060454E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60589563E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.79664708E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56437421E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.22728738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90269463E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81846058E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.01622411E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.65788061E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46062678E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32217510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.06537358E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68780070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88744370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.18801068E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.87265925E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54403818E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.69179288E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.46469707E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.40614188E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.54496508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61836930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.79408848E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.78505255E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81036490E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.32796434E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.58647924E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36843202E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.22129379E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.36947450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.73908920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60616820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.95157060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.31802070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.03155250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "61": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.17846744E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88927679E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32984658E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33118828E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23397318E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82823800E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65149733E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36438355E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38571358E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60043042E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.76253538E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85467705E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95567693E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01189757E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32828264E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84586921E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51191851E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.25220283E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52178476E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38855825E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36002944E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.55810119E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97680475E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11308098E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.75540356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.11817981E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49134335E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73569381E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47067396E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69827058E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33404352E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23052382E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95590918E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30910836E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95059019E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33772019E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02597301E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06506039E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.12646873E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27375890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09030068E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05750074E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47196533E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86462986E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54334819E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28064658E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33479118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23847730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06644263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13122726E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38858670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.70509769E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90544233E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63928453E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02147850E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.66678398E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.57747069E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.04532524E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88304578E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.33024916E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.81749768E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54463927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36691087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.29930546E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80635108E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94325464E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.41573466E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95077536E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56517375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.73167716E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.63449090E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.98937090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.79582287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73706905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.38518436E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.08320248E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95765400E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.02496955E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89271073E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.48774703E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.68598948E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.56949090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.25199350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.76175670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.13288020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.70019740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.47966390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "62": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.00279961E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84664547E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20880310E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29752910E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.15314693E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81655157E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65555285E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41984007E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42665857E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62604039E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91211406E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93960126E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00350270E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03885462E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.48076643E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93253993E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56205400E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.53744539E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.68492552E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48041052E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41337862E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.86237715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13984604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19797050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01113522E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28800636E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56944680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90579990E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54080632E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72824204E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38971165E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35013215E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25178447E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39131415E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20169052E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42106557E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32636077E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18254522E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62133563E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.49575740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19505488E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10896779E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73361622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00005242E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61567864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66437965E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53266014E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33670843E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10962264E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32171700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46839839E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99199084E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00748284E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67161544E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06347376E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76933867E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.92710111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.18737106E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94720549E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.64149111E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.97524258E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62745929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41078176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.52671011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92036874E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99588545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.61995086E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.01809496E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58165405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75380001E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79899163E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.55362437E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.03799374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.85155441E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.95425408E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.36899625E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09792009E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.68270728E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.17810012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59704558E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.10457990E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.77441730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.76565570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.91411520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.30971450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.10228600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.95012490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "63": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98556015E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84226569E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.19498032E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29282689E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.13815971E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81288264E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65559013E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.42804724E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43429532E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63164720E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.94978576E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96365694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01849718E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04811234E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53736114E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96709565E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58868814E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.70628270E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79240658E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54893005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45331297E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.09491047E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27487010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27109219E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04435887E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43902494E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64141520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10014933E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62329416E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76191200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45905516E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48963608E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58805796E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48338514E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48016628E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51276208E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65431632E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30984404E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01537687E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73310401E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30643599E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16342292E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00942602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14239799E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69152510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.06653765E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73982096E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43937362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15492679E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52217126E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55239566E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.31415686E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11915302E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70597157E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10530864E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87118135E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02731956E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32760687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01038928E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.94735695E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12986412E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.70847845E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45349005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.74619804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02928853E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04514617E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.79962009E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.07433391E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59347313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75848023E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.95981390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01044347E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.27396312E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.96299439E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.50723501E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.64556628E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23282262E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03097933E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.44691684E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.69821047E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.48520964E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.98418170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.27746720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.06410480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.48734090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.63183720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.58157630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "64": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.87175024E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81478006E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11848266E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27282249E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09938332E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81292834E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66154519E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.47549352E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46398929E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64889239E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.04888883E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02150713E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05272476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06834806E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65599222E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03658772E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63111939E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96371902E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95299344E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65375837E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52088400E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.53447204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52094987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42309452E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14510421E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03901476E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96523127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80718328E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36961953E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05599358E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53761613E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65872244E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00938483E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60125722E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84231967E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63345255E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.08995975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48019393E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08708837E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.05481093E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45845356E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23826046E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.39263616E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34319933E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80057929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.66924386E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06457591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61644665E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25101039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04731310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81103853E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02553629E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45319326E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83470321E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14846041E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97595110E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06282433E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47111587E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07490578E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02590260E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.28708918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79070537E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49670355E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96738892E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.13858800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09418772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97145825E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12702649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60297727E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75060917E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.47435339E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18842311E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.04694068E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33732468E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14245701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.67175009E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.78383303E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32321205E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.92445597E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.36782862E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.46350583E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.19367730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.86364320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.27041570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.70606110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.44128460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.24962920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "65": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.86891582E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81736806E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.14363446E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28957396E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.20066310E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86878891E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69089315E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.62323060E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53628127E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68347990E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.21056730E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.09528995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08609417E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08376063E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72974338E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07266091E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65370002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09163327E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02835416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69829385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53860574E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.56888984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.55781366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42334040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11301118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75657266E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79122136E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.43607765E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74511512E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81186227E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58861106E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76534743E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27039716E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67310211E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.05934820E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70439523E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34032839E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57568373E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12626632E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22599036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53711807E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27593649E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57824684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43570640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84764165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89292290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.16441872E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64919272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24739475E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.93009385E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72296710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99410137E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34597368E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77428264E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19032526E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07727673E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09705042E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.60911471E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13679182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05573956E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43712332E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86893308E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53743978E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.17212768E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.23738583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13644949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00974268E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15841379E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60523722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72382080E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.27537489E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11827756E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.73488099E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18033302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05831336E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.18062175E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49158219E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14978354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.94731014E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88152810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.15570261E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.41802970E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.30901050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.37781690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.68006750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.06930540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.71367840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "66": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.75544116E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78853649E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05946990E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26700518E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16206662E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87775330E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70663976E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74852967E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61954752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73440045E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50908577E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26649295E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18275905E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13752493E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02595489E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23591695E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73991946E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.56114640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28439488E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83011335E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61475837E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.00645291E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77452995E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53256119E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15633979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97316073E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88598391E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.60946296E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83124472E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85006770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64768815E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89982150E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61351084E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77022615E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.35921406E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80425865E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.69865800E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71445728E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18404244E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48221480E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65677292E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33417321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87213788E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58705011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92808824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03179825E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.38235949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75652421E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29428446E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13601740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80873098E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03428504E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45836541E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80762040E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23323267E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18087527E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13195017E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.74948400E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19960003E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08595812E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.58875718E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.94785180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57841374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.37727332E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33598353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17826022E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02133801E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.18544593E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60505437E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.68480669E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.43145704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17149261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.96188492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.28720782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11109597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.44169550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.61680892E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20658801E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.18237712E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.96523717E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.45248180E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.64205860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.83333880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.53296570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.77466020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.45900760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.97990380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "67": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74396932E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78651752E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05957833E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27095877E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.20013318E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90372401E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72216018E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83395213E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66486247E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75827654E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63613754E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33468089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21959805E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15761356E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13670344E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29762644E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77794449E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.78469379E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41811228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91709164E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66475434E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29109155E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93389301E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61609267E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18923617E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12828302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95897060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80558193E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90778792E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88053279E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71810344E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05221815E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.99504711E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87708973E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68679334E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91271086E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.08551969E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86335903E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24566133E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75395445E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78304463E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39535888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.17994471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74538935E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01214901E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07622003E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60946281E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86819997E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34358391E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35343919E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89974809E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07375624E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58094665E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84314165E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27674310E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.28568799E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16717379E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.89087391E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26275908E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11630476E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74080644E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02686031E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61926828E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.58033368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.43266209E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21847747E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03122173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20400381E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60136149E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63301015E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.58698322E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22443766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.18745938E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.39329713E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16340483E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.69950804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.73981816E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26195033E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.40880878E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.04431090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.72666816E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.87081420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.35927760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.68662830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.85472870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.82653250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.19109440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "68": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67481543E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76618859E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97553279E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23038529E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98515139E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78856616E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66038522E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.50361026E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48822119E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66377926E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12879399E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06131902E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07165820E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07670086E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68322934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02878886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64768561E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.10643629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07987564E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81130453E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61007493E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.07102196E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87870386E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61303107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21159619E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.19852496E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00599320E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02294024E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97666376E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90527946E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78258083E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19943768E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.37266209E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98437540E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01866531E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02319588E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.48064516E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01549381E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30856986E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.03106319E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.91166407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45761808E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.49287599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90638765E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09765512E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12143805E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.84131830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98261257E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39455779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57943174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99493274E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11686262E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70978476E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87977294E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32073873E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39139345E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20259354E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.03268515E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.32595245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14659959E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.89220390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.10533252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65963986E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77932048E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.52639052E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25658788E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03908168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21295871E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59386873E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56802785E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.74222503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27720500E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.41200949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49879356E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21533532E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.95456460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.86087915E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31601026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.62730188E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.11907573E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.97981351E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.10430630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.89085990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.84056920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.92462250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.14555270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.32740140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "69": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66736958E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76615940E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98989925E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24427958E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09067142E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85758897E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70290572E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75602171E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63413865E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74560626E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.57681755E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30369232E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20314408E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14926641E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09573146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27531158E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78417552E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88607751E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52198558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01509711E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72298452E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.64033820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.16463241E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74967977E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25881149E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.43758941E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10826287E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20072456E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06168921E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94193552E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85353060E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35848141E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77826419E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09927123E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.37332068E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14100363E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.90067323E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17658031E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37489674E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32202694E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04620888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52252189E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.81849855E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07433915E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18708548E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16895835E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.08514011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10293689E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44826781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81783963E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09509631E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16346089E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84390375E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91731130E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36556294E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49886018E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23851975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.17624749E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38983148E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17719043E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.04494246E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18440959E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70020126E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.97817679E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61937638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29384881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04564225E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21464838E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58328745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.49181490E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89741650E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32987560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.63589549E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.60387337E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26697628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.20732516E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98022267E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36888441E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.83844309E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18980241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.21320771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.34256110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.04311230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.99619300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.00038000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.54056740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.54970740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "70": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56667501E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74059686E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90789395E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21546325E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98171415E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81261125E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68218865E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64908007E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57458642E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71223898E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39636234E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20888468E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15313252E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12186564E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93510636E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16831786E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73003963E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.59087024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36906992E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99089044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71511503E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.67260757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.21915297E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79372137E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28597887E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.55627006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17138134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43029345E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14986996E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97550318E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91079526E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50118567E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.15885963E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20989891E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.72046308E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25756159E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31893456E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33751350E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44125435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61327478E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18090789E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58751212E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.14407205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.24075052E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27501259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21518925E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32185153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21962478E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50034990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04837986E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19276188E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20948200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97237675E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95318644E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41103572E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.60772785E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27485448E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.32123272E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45425584E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20800363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.19858728E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26383107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74080097E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.17612005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.71122536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.33006841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05076911E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20853816E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56949824E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.40445392E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.05275174E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38251510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.85938957E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.70865322E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31837803E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.45805393E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.09800878E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42066072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.04264050E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25667533E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.42774540E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.58559270E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.09797440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.15409370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.08401890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.07279680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.91565980E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "71": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.55650136E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73886198E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91344574E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22576249E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.07029677E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86949937E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71467229E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82306330E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66646836E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76203109E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67372388E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36410892E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23988397E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17055788E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21125251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32905246E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82211001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01367444E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70071423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16227297E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81518771E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02069341E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52522888E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97292486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41410988E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31338676E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58240825E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06367984E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.13097208E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37468016E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00217284E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71395519E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.71428441E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36993928E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22107654E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42561587E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92272369E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57025238E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53743557E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.03667220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37754623E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68277943E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62526131E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48977580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40850578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28804944E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.70694491E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42387532E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60876305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.63265082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47737464E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28596525E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32221771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09728806E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45678916E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.71680598E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31108653E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46520373E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51799705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23839876E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.34960809E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34160347E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78028212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.36661700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79861695E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36375307E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05381519E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19411279E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55293490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.30484201E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.63086247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.58108768E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.71814617E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.12424298E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53215848E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.60448133E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.71339875E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.74636679E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.69174849E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00483695E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17386119E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.58577330E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.82631360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.20252680E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.52551510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.62466040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.98590290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.75807270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.72326700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.01311400E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "72": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47387190E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72158300E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88759957E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23692904E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25793831E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03155111E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83018986E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.56085251E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11052469E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01870177E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01220109E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17157224E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68786995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41891787E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59590969E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11484202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22485262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22723073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80317008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66243221E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09940142E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17604417E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26099040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33692332E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55564497E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.19965847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98603844E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23617130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89567436E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67729126E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07433271E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89981095E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.22089317E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51961389E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.69676642E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.58693776E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.50562232E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79542451E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63048935E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.44580981E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56724576E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77453292E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.08782228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72919814E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53705409E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35825489E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.08017987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62483170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71640682E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.21486362E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75706116E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37243308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63671743E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21488058E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.72524233E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52891276E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04082521E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.79652460E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75071735E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.58216251E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.35209497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25729362E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15980782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.80172020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79991459E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22507431E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91171836E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81605533E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.10065659E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.14435448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41220015E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.97547640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.75700059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33686492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.49941524E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.08799631E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39458851E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.72547744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70220258E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.06070230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.10996600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.30857290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.90470030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.98476058E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.87378800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.39548360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "73": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46340897E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71911950E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88216787E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23756519E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.28526975E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05868804E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85067044E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69478039E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.19167039E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06553889E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03852534E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31719519E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76752410E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46211665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83105255E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24626950E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30092608E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27326477E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08337179E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82295904E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19742190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23446251E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.58291202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52577272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66419669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83973533E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.31697699E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38987593E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.48509651E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90242612E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16396697E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11790871E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.80417061E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69031577E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.23615580E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76908002E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01610704E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04748978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73418067E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89980606E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77698524E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87562423E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.59593609E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99143275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67713172E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43441029E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.48174751E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83983890E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83004522E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82113985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04284599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46662789E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.95254291E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32307321E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03124245E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67222756E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.52884868E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.99482921E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84037805E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.01824421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.57395123E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37394629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22167235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.12640703E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97150404E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30997466E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43707380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08705756E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.24452895E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.79781620E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63620422E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.94584107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.22554049E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.57856089E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.79373118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77892969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75135480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.36943084E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20915474E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.62244430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.37011630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.41593650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.29050610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.11928633E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.23484990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.08425050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "74": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41018810E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70489853E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83172802E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21674430E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.19067252E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01635627E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83347184E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63415862E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17500855E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06388903E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04104107E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34910785E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79598694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48390359E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.97876636E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33738585E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35243925E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30186961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.25024908E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94137929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26968708E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27882613E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.83884335E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68337589E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75976731E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.38336790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60600973E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52587336E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98528887E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09430068E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24544773E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32854740E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03831690E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86258639E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78650783E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95631043E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08377599E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30814488E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84138849E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36873085E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99336748E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97979850E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01183828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25965396E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81957226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51139595E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.88574213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05650421E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94352021E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.41911766E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32086298E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55320744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23521199E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41814578E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09440668E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82590536E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00506052E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20641404E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93596219E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.48318785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.81079983E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49883902E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28835587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.47991139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16168325E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40832492E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.98056754E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.35135087E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.33820662E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.38338168E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83656052E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.80869452E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64309995E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.79326205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.94381629E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.39438207E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07200822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.89768088E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74587115E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.47390320E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.63141990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.52461890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.68265670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.41552147E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.67125850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.78739520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "75": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35989718E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69194013E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79498858E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21052705E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.22640450E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06411159E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87016706E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.87685669E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32560748E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15308862E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09303061E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64950603E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96549833E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57645826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47487261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60492333E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50001235E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38500901E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71304453E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18022714E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41233390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36216426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24621484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91034367E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87808960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00649849E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94407902E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65778728E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48909768E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28513445E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32614724E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54223770E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09782849E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04117876E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36034385E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15224712E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15470738E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58126104E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95352193E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85802903E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21860206E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08798095E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06594548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53659266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96601090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59010198E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29969813E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27886258E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05882521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00172240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59438851E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63359634E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.49077440E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50175901E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16164850E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.98897975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06024970E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.42962247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03658556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97171379E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.05928203E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62976468E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35829694E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.85124977E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.36256728E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51388549E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.53697107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61385847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.41051909E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.95193446E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03070277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.64178247E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.04690209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00073032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00564871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.99110583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38362025E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03678508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.28336572E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03979990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.89567930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.63471830E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.08130750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.73365348E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.13246190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.05042770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "76": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.27257269E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66927915E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71679959E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17813966E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.07191080E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98939869E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83478815E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.70361249E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23711398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10760757E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06894071E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51580509E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89152476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53796302E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28856331E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52005327E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46990980E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37506195E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70496599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21605555E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43826749E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38210059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41986285E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04009529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97882878E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05700550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.21154994E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77568447E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91576003E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44900771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39734780E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74559720E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15631962E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22010891E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.94253296E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35270374E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22763581E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86268125E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06911502E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36222180E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45052337E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19927405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12165441E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82394657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11914998E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67328653E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.73361436E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.51294839E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18307259E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06553469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.88568590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72513914E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.77999023E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59125352E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22945038E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.15283727E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11550040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.65242515E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13684795E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04579982E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.30670407E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76026356E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42818138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.22394460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.56592290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62200984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.09505431E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87447219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04746313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.49326891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21493483E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.42927397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.42803266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19601762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11016202E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.55197385E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67846358E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17912467E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.81290373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.23296840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.16387100E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.74635820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.48681960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.03113771E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.59700730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.12347180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "77": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26557070E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66799660E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71455573E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17849771E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.08259290E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99782342E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84025972E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.74176091E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26566156E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12815094E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08306261E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60832544E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94932441E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57299248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.49903454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64635475E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54559286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41952066E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96745323E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38085683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53906014E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44301622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.76860402E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25156806E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10232188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12441609E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54664820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89433942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35966387E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61515649E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48528268E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97869821E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22172119E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41766894E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05803433E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57111011E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30672506E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.16635447E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19315193E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.90010707E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69659438E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31678328E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18017066E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.12372161E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27752726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75850063E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.17824141E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.75262779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30848545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12927921E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17361591E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81009789E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04237184E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67125639E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30076028E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32472136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17328227E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.88476841E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24112930E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09624763E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56278835E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89510340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50030823E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.60835220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77609459E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73446034E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.66615746E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13736839E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15376445E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.01737751E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.39283326E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01882436E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.79525186E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38412853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21080600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.09289243E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.96414114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31820351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.33544605E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42588700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.43658170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.85962820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.89938410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.32313128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.06628930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.19787600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "78": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23420892E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65899440E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68116212E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16484183E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02504897E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97530860E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83323908E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72993169E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27067310E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13512541E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08831873E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64294132E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97163388E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58715347E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58678103E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70062704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58419336E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44521405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13902372E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48666004E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60540936E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48571344E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.01886656E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.41202599E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20284608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17470525E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80381761E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00629250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76560267E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77078534E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56816279E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.20810428E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28741914E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61867997E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12348863E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79653781E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38862603E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48115986E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32167481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04567665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95087586E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43802442E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24045191E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.43245977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44043695E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84606294E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.63428838E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99885830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43707997E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19413604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46504578E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89449186E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29907816E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74782345E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37262779E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49719416E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23101317E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.11612320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34473881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14629999E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.81679073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02888445E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57194762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.99126375E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98671881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84805425E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.23896247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.40065701E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26055379E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.53390681E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.56761361E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09322089E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.15465796E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.56806054E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30913817E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.62207100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.24480990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45574803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.85551654E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61951390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.71388410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.97461660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.31925320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.06377326E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.54812010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.27365350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "79": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20722185E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65203591E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65791538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15623033E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99306481E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96414959E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83059018E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73616208E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28555453E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14864996E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09813562E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70796184E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01343252E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61404252E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76047503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81220084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65695654E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49025873E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41074448E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65028217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70322634E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54290092E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33768986E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60569283E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32465197E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23675190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11377850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12094928E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.19014878E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92996891E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65072863E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44146920E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35503096E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82714630E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19172564E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03235178E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47444090E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81092180E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45606146E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10373337E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21538265E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56384824E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30289570E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.75225361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.60892673E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93652205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01043048E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25279113E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56950900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26038793E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76109469E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97865855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55119224E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82141897E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44781015E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67716021E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29106678E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.35609420E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45192758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19794849E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.07825792E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16631231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64540819E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.38347565E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20264263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96488353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.82342970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66732051E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36810745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.04603731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74042218E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16667491E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.50923691E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74952889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40612577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.14450483E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52275993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59267636E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.37589250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81456950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.99627960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.09140030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.74667040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.20070770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.05284810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.35082280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "80": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12469008E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63000198E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58135711E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12640907E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86684811E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90779773E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80369752E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59773549E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21024785E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10667513E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07455838E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.57522121E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93833272E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57096876E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50730159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65857114E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58020082E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45133810E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.23885044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61241165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68797286E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54467071E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.42550174E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69598090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41595084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28093959E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38447244E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24481117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65966421E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11919795E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72039001E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66150036E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42173815E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03843590E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26214315E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27883259E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56495125E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16080146E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59916366E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16569241E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49810622E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69851209E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36974621E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09420476E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78828185E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03243813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06003768E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51996470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70842935E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32946819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.06782224E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06510308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80716257E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89365113E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56799497E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.96521969E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38730221E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74157103E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62484917E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28173466E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.50548228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39286102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76854909E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04625288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56392220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16373781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.86526299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17692814E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58951527E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.70518113E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.96276315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26111670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.96664184E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98407780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53224830E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.82669725E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.88627997E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77363778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.12091882E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.11236180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.28244120E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.21003780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.18177320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.36258277E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.70234600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.42940060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "81": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08065886E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61819739E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54011652E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11035998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80336594E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88482357E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79728915E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59295390E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22230583E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12016222E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08528266E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65073069E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98842819E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60331928E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71523927E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79269345E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66890167E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50914461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.60893478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85695076E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84941168E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64950587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99556157E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04580944E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63070922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40669517E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10350554E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60605843E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16832538E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01391846E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42753717E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14041033E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30688276E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04933497E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57357790E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29209962E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.93242075E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98386651E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.40802025E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75210542E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75737824E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.59182412E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.35233370E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27084287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20836151E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.46569645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54604117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93651311E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02935156E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47511333E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75810139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37743354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.43505311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35622566E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85719824E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24958305E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03881897E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46725832E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54761056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03554117E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.69737280E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28853172E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17228804E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.18961286E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34166896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80401385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.55801447E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.01774026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53510172E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23332218E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.69796609E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46388080E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.99285125E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.39007663E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.19312209E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35882918E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.43981621E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.22692107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.66305546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.53817185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.27104494E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97350016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.08022357E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.52629430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.97511750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.57333820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.33124600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.62761830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.51887060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.50965810E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "82": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03798479E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60690745E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50158015E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09541152E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73747986E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85240024E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78043163E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50480279E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17656436E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09673002E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07363806E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59612309E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96529042E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59507762E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69510257E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79292554E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67978643E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51962899E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69502226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92454742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89250027E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68005206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23723643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22327683E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77804722E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49086619E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65783736E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97829937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36025214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89616920E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48876065E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16821975E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41127699E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08859283E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72414988E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35125079E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17028736E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08204042E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82465553E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93487429E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84103284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99380189E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55452747E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37621095E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26467890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.77241843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71724457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03301293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08287874E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78253851E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93572621E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47773217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.01333423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63794096E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04471072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.97592513E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29356064E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.06417412E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74121675E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11092616E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.02922099E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44704323E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25285235E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.61554572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57496541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93406179E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02760058E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42011456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76252810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35839970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.38064514E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81842020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06118956E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00520285E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.41495533E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45275798E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.89365180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.45975469E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78845449E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.22196908E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.64266605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16866137E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.02167191E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.60408710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53085016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.86994320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.45476250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.08311870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.67461000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.59156270E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "83": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03119892E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60514899E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49460224E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09217826E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72286077E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84554484E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77691456E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48420218E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16392597E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08885196E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06852884E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56164908E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94187439E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57928191E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58800210E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71603844E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63672055E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49608973E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58643392E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93302357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90841122E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70043921E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45188226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39079397E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92544119E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57671776E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22623938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36549072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55529714E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79945828E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57163117E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20200125E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.53385085E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13288565E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88809084E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41393227E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41758767E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18252541E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.24851014E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12276827E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92853126E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.41674992E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76445132E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48295911E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32043796E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.07329278E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88439565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12684889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13562105E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.08939127E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11500618E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58092243E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.62751069E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99503627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21713018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71368957E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.60564710E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.79426902E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97738965E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20263396E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43209485E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63926977E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35047079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.13190618E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85781649E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09198210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11516104E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.91228033E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04303186E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51355417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.22430784E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25039533E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26579892E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07030290E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.63238800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54467335E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.33683554E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.68697240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91071064E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88941892E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.00681763E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.36158202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.95517091E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.67301970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.78625800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.01720660E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.58062120E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.54831390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.83062260E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.67512560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "84": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04132058E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60781395E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50296684E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09487767E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73598814E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85568070E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78562706E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.54972388E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20812353E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11623560E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08446488E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64931617E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98767414E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60218822E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69844819E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76533840E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65861795E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50451696E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61199521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96704287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92099898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70811312E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.56814016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.48420451E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02567504E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63701424E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.66086655E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73699821E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74012749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.67323249E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70483094E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25428734E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72157602E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20167538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14740809E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51433022E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81666935E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34651738E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.94478784E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42681812E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06558607E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00588033E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07734618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64074877E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40231877E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50681654E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11869237E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25585038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20443832E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.46951983E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32581203E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69891908E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.30278160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38402297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39823852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47226927E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94476700E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.58557164E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23232873E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30121862E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.86354416E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84457341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45444577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68140169E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15825297E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25967572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20861528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.43980393E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34518237E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68154993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.14193870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.72050658E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48634616E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13495050E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.84763958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63553758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.77420903E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.91113585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03125894E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05482774E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.36738054E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.55387945E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88738949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.21912863E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.04795040E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.70881800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.02315250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.98756630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.76034950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "85": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03482564E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60621874E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49836954E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09388542E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73977311E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86231251E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79228388E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.60618208E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25144821E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14664496E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10454999E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77583526E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06466756E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64794396E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96629450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92144919E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74964998E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55808898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93225315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14038576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02064999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76300850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.92098026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70496630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17982594E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72804337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.22656942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13080993E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93665037E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59565072E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.80820295E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29759559E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88229312E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26152758E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.37471764E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60307011E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.17330592E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49335845E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05659290E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69918962E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18969792E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06453783E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.36400181E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78500036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47694036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.90307293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33302353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37341985E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26737102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81901609E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51776239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80703762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92798270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76241232E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57474650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.22057178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30243632E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04185084E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49974095E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40424481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.31289497E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05788923E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56221370E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25040579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46867205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43279458E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30548231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.98796665E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.65962865E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85695263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.10450738E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21483577E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71535619E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19973926E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.06254277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.72608505E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.20928786E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.13405247E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15110240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12039677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.72709106E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74673093E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08233409E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.72950677E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.07925840E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.83938880E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.50772060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.14591080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.84723890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "86": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84798489E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55661447E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32787165E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02832277E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46297726E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73833194E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73395901E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32206424E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10893642E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07335353E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06600587E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56967131E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95281483E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58620869E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61735059E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70952776E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62643649E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48209526E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.44019334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90578503E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85826415E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64592887E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.43696688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42043507E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07806857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68144512E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.00631872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35448673E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06144330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.27636781E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77708571E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30667777E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94562797E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29131783E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.50325792E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65743754E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.40364278E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59205726E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09965430E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89189488E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27873625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10714451E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.57491838E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89263780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53336179E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.20609431E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.49955347E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46562537E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31769463E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10603253E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67730712E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89843313E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.46659718E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11732737E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74318443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.95136360E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67507519E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12841311E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77649334E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51038247E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.77379248E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.27595657E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67204077E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.82948435E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78401338E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60866844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40437654E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.54960079E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98257799E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03796235E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01041437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.73001501E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95078075E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26483434E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.27823687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81692888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.64528882E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.35732024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27103637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18603298E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.08776747E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.94090639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17660739E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.31008520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.11111330E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.97231680E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.00019370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.30604820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.93579750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "87": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84196158E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55489550E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32052997E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02463280E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.44514761E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73024103E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73063388E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30943141E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10470458E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07234456E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06624138E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.57596093E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95949290E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59211136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.66647585E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74626472E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65685980E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50639792E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63135729E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04487758E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95248801E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70665602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88867584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.74936667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40996084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89469745E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04681411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33574655E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72443061E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35952190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30440000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95071293E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14641119E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11329999E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.91216192E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36496714E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16654993E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37525890E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82822160E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78632351E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92795002E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81096909E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19362332E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30832703E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47003764E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19844186E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.02692163E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12357243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65512337E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89694352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90855952E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72188201E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48396883E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16682727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39962249E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33315518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20395993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63616073E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62575587E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18122871E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47761560E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36812410E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52390997E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23487907E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18182539E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24611481E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15247688E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65436553E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.39821035E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57135609E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82080645E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.61576628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.21264869E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84920445E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54160560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.33391609E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.43818447E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29598719E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15583880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.55490414E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44408603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.86904540E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00829277E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31948775E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.45835513E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89257078E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.00659061E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.54248602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37114913E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24246133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.42061937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.14407465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27780943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.99564783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81280960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.14359030E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.10772030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.05063610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.47114600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.02609780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "88": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80565570E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54524704E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28705247E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01159919E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39348648E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71281160E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72944470E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.36497948E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17673584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13502834E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11189842E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88090825E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15917077E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72294310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51443107E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29721346E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00187725E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72510500E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00277953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86476426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51299858E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09488964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19638314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.11440168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21057962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34582823E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31510348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77422309E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61549960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86223187E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47483700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23951224E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56556662E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00564657E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41078956E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.35017805E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44751581E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11458884E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90182872E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40364943E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01125681E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28002327E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69223184E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64671585E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28291666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44582958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33762712E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76771530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.48098978E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.19333028E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85329696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53238118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31968300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38897906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30318048E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17321581E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01525933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97087111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47749661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00679983E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77053641E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24964369E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.73211611E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37211900E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54949200E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80458301E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.04257989E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.87334073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97153465E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04071526E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.64127047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08907736E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67890972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.11756466E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.89199077E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55374053E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30158105E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.38505218E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92330385E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09463920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56605274E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38629006E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.67836732E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98496918E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.44903607E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.76903467E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49302970E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30959204E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.79505201E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.35161155E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38210100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.68426794E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12848990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.75932963E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17654310E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.24563800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.10210400E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.63971880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.11813200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "89": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80130752E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54430109E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28527623E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01211496E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.40746453E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72650286E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73976674E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.42856534E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21022382E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15066737E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11928839E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91718825E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17278903E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72293861E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46064158E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23220851E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95849893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69798398E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.87142783E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82685558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49922667E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10207642E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21649208E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28637531E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35874102E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44751973E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38878150E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.54856070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07471016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12815869E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08049053E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92750818E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86719733E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11255540E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45856074E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53380650E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51794135E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.38938665E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01148276E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.85152079E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19868707E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36049147E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04765670E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80880746E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35945386E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.82020531E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52689653E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87354512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01626231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65040931E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17132433E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76021024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.83973173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44995537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95903323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57951001E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.97519606E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99213151E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93619252E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.73047442E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45197369E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48467776E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.51223994E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25021563E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.33957348E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86503427E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26081628E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.03127572E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05893670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62060169E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.82921372E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91988131E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75439015E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52232301E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.43462682E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61006288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45250007E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27425477E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.30663686E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63749498E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05242310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92731817E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59681734E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.37457893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27831661E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08705579E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.50681562E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.90070696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54306286E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.18204144E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.21341358E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00694265E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.14803499E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.29253480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.24908020E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.20934320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.38601490E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.15457790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.81301060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.38719010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.71390100E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.21189190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "90": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73546654E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52663363E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22264725E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98648407E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28683546E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66333555E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70393510E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22006853E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.09160502E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08740468E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08821236E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77856860E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11886483E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70714667E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45440216E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27505145E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99801583E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72657653E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00725341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95544974E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57179240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14017785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23424345E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31916889E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27236181E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41655465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35907940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71812427E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17307405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21437267E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14516911E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.37304321E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07352474E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17358513E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49562766E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69212720E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58252331E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65163472E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11901827E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29961006E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38918913E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44332499E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41742993E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97903836E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44053520E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.21976874E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72985836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98061006E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07487725E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97561224E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35869081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86939472E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04709775E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82382333E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16556916E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69859087E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63335883E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36780757E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12494205E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47274779E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72572185E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59010926E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.70532459E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29217430E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46211937E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90771188E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27763340E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.10329140E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09188119E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63629447E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.90650717E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.95874266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77394449E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53191993E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.48478925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.63440984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46596080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28170935E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.36002165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82909560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18316635E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59558674E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10672197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.73712703E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.58563166E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.47412617E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.73602931E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91133504E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.79270356E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.89356816E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27309199E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.80565731E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.86411683E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30497697E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.67663520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.24702260E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.52884270E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.20805020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.98949910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.76856440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.93675140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.10592700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.07663810E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.30734640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.01943960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "91": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76066586E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53330988E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24443479E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99394726E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31464667E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67473805E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70948981E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.24982075E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10685574E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09310968E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08818578E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75185017E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08541385E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67630259E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.20364861E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07302703E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85301180E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62083524E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25022566E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49966961E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24980550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91392241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13827096E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.78605239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14962214E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39864827E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37905561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71434098E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21376414E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23629822E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.57957583E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12837515E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95884943E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25757994E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53016586E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82246161E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63204561E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.84338636E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19508321E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.60850387E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51729557E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49757453E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.65282188E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08427019E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48921128E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45288665E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84521300E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03927219E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10523340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13455693E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44043754E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90941469E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06846282E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.93146271E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23099218E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72764783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.71896836E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34197933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09326077E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.21010500E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62374166E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54575878E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05911197E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49745718E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.10885266E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.15052049E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38064789E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58188948E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32909042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76023221E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.57807041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.33372866E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.98648211E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65267777E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.18292078E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.04009477E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.69515415E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40515512E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.96096851E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92114841E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16138837E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30136111E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12059073E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.78109512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60367912E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.55357046E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77374959E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.92860222E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.87952306E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.94160467E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29263317E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00721685E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.08826436E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43589540E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.59016610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.28174830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.67416170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.26258300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.38481100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.28703680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.88375550E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.26419700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.40429310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.31754150E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.22006800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "92": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.66886267E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50892968E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.16047520E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96161434E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.17952534E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61558027E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68272564E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12575762E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04875779E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06594886E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07540512E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68984978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05473877E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66171064E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14401131E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05672652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85403992E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62928892E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36093827E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58115962E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29572548E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91486984E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14242164E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74627252E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03651896E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32173132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30523335E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34092343E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99654152E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13808680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69400033E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.15411360E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97704118E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.26997043E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55031024E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.92252723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67576293E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.02812982E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27286191E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.93835145E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65895350E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55940490E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92848865E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21060196E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54901411E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.74553591E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99278919E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11505005E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14423001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33492658E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54261746E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95645774E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09242892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04614224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29863040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76454665E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89053986E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.41827612E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12886942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.30305708E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66160787E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56289260E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10309490E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59792086E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.41855414E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26410001E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42790526E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.79816182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43526466E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81520570E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.87355167E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.49730741E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07826352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70413108E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.47870149E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.20908315E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78931303E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45399687E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.18994800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.01211589E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19212031E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.39151099E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15235695E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.88491767E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64709530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.75678965E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.87582288E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98140169E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01647698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.10395591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.39102783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06516458E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.39983569E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.58084240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.56834550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.31709570E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.82147170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.31786860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.65105850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.23542160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.74962620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.11597200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.50276920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.53702070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.64819920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "93": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69383908E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51562553E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18335988E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97036247E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22136303E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64036603E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70100898E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.27043755E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16179720E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14893796E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13304283E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07308703E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30245315E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81904931E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01348291E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69224748E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25453153E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88318207E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10072867E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52450475E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90789029E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33279975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37139408E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28683608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09734651E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90186274E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66575907E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.05566640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89393645E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55048435E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.27182879E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45041921E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08797655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37147562E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59385592E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09112620E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74123466E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.28630940E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37671520E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36477246E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83767950E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63591659E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26399617E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36196322E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61954180E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08539610E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16185866E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20330755E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19311156E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61847209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71468544E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06571438E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15931006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.46362882E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52913981E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88964838E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.52318223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71859998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25942685E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78075302E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83449182E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61512249E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15327168E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71198333E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77301775E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39648941E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48391465E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.05697773E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.56246955E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88068816E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02214225E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.68655511E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18213836E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76123830E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.80141761E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39097196E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88859533E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50435892E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.41990510E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09842134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21914935E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46053997E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18697991E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.99825859E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.69453748E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.97975621E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.98810849E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03973240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04799110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.28157761E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49866211E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12563737E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.70940611E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71948308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.95426610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.35299020E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.97084190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.37395810E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.86395690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.02525150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.73523460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.14056420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.60273950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.77993490E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.14630320E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "94": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60520573E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49198227E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10142040E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93833001E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08019532E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57150903E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66499726E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08218475E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06794731E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10500232E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11462283E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01964269E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31248331E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85057873E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04359907E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91216304E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38863762E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96135698E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14326267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.91813539E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17931244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51975359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44577277E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.65217189E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.20132538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95902073E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67956846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90468646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72745423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41963099E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28296096E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95850019E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86220510E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37016368E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60803062E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.16905261E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77670738E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.43961543E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44211823E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.64421170E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95813957E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68854313E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.49800868E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.46840457E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66928699E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.32475259E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28038376E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26370352E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22455519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78441094E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80070572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10814070E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18247145E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58438109E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59346374E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91400107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.51687594E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63754688E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19359941E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.39316062E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68673525E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55093629E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19160302E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79880026E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.03616399E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49031659E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52170214E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.22415193E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64218017E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92104427E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04353935E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.80455425E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.24867864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79873741E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00187522E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.51414717E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.95602974E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53724002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.55533519E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14634904E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23161267E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.48139286E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12520051E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.78870462E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60480842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.53295619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.74987879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90408843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.70144309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.83649734E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27147769E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00726544E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.10332734E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.44410755E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.13231780E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.39003250E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.12243860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.43093950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.97485770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.22102570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.83887270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.20418100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.70424500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.95864510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.23172900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "95": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.62921598E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49831249E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12170923E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94499820E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.10347516E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57992758E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66780957E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08284304E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05783323E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09584274E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11044126E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01057244E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30987097E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84450874E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03564083E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83136204E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32984556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92206159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12128447E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71501597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04417268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44924759E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44080197E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.70696546E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31986510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05657755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74998803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.40226402E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.00191715E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56341757E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.36503211E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03344002E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90199863E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46186700E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64778890E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32454977E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83758173E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.68114213E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53969641E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00460272E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12677893E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76068747E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.81349858E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61021279E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73514055E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.64113981E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43728552E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34462243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26809304E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02635944E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93880422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18761396E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22911271E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.85899255E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74707949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99474514E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89464824E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.80599275E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26397212E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63933799E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77224887E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57784528E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22605139E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87640764E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.27331958E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57658982E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55727991E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.38501798E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.72016625E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96092606E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06478367E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.92149139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.31421238E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83559669E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02324641E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63561028E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02150901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56830189E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.67476799E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18675114E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24042264E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.48644562E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16647528E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.92422322E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.66164216E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.80134070E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.88556962E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97505905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00836059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.04340624E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38943814E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06962531E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.40250464E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56965216E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.10962040E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.42700170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.27628810E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.48878910E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.19431360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.97569220E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.77916700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.13164100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.80729450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.17376150E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.72897100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "96": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58441596E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48631179E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07912820E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92769409E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02749050E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54581034E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65244836E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.01731383E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03672899E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09493017E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11609977E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.06698756E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34346190E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85677712E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03610188E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78416766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27830857E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87937347E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09016403E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53371353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91531437E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35033688E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41504115E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.54434307E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.00934329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89887018E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62474703E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.07876922E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88748634E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57536739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00679291E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72455971E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20619682E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51929286E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68361051E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48286746E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90405134E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.95769232E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65546729E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05364281E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33760194E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85285392E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22467858E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79833598E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82384648E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07314862E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65420452E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45762756E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32908897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.36156121E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13007923E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29821011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29357266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.24417320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.97092005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12372313E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06361077E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22401021E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47680502E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.52953523E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09585763E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69942712E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26465200E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96447235E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.54283975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67444308E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59745603E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56549749E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80686072E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00469836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08767432E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.04431086E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38095070E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87212952E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04380046E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74798401E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07930164E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59357724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.75179783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.21006440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24249461E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46790235E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30171153E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.37285426E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.85104821E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.71514299E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.35830648E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23204897E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15134859E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.85016847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.83084639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30469650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.59067822E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.10198555E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.78857860E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.46398010E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.43206060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.54736100E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.58891550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.16469100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.80836090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.05893410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.91182560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.43969330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.14373400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "97": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59425318E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48877318E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08640623E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92983114E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03442517E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54804705E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65341722E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02133179E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03570351E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08978593E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10836962E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98591402E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28026559E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81827580E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01722480E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71256660E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26150908E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87948006E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08817968E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57541269E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96968518E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42995167E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48912948E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14815037E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37671763E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16508784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80583696E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86852985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25690722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70683885E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.74500205E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18745842E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96811030E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58688536E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71487394E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60905492E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95444121E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16022497E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73794173E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08774144E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48083166E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91399942E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.49055325E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91664127E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87797590E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.32831844E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77807474E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51942825E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36059868E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.52647101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21528748E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34084125E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31693485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.36302754E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02795419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14150287E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05884148E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11340415E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39285169E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.09735894E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92856047E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62680572E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30425911E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05332532E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.81176845E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77127553E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63700147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.74274766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.89209414E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04791765E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11045186E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.16773178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.44886394E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90982913E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06520422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.86578891E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13976115E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61998242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.82990509E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22925955E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24205843E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.43691871E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25020666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19832062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77639835E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.34258353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.15907632E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.11812568E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08553719E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.46024264E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.62053827E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18928941E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.96770112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.80381137E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.74230990E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.50266580E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.59022490E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60689840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.67840860E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17584270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.95448790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.08895600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.01792330E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.43880730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.19966010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "98": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55115460E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47732101E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04581663E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91317914E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.95745312E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50922148E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63207696E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.89393710E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95458803E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03831438E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07832973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83499196E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22032667E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80552097E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02423313E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84113818E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36539974E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94683046E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12823934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.75513638E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01940331E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36398251E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46950783E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.13509821E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69795973E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36886883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94808022E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03422531E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51830912E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82521941E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99694147E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30556467E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01620071E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.62450723E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74167298E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73220467E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00724916E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38295227E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83202949E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12780640E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65331689E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98922794E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82424139E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06802042E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94860267E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.66813913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94657221E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60609149E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40688354E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77830748E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.35482379E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41834302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36123997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.61310937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16503136E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21149502E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09108625E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25430375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45114858E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.29305074E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99364282E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64711644E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33707913E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12745286E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00377765E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85309788E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67048101E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.89221179E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.96339405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08365407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12906511E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.26730535E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.50316847E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94007742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08233101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.95797766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18483437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63714449E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.84805372E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22599979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23361422E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38078440E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29163858E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.33358900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83299360E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.60953505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.29415470E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18893849E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12390866E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.66793093E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.73366409E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24702676E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.23726959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91427794E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.56869110E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.54138350E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.75057390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.66727030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.91274260E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.25999820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.94218230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.02090030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.12558230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.62620590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.54980040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "99": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54821004E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47647322E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04183250E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91084906E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.94437385E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50225814E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62920456E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.88990464E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96329763E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05022371E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08800168E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89128677E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24229447E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80745237E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01877928E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77805695E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32942023E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93623502E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13186248E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82910174E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07209510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38377136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44866008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67920720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.13464122E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95784230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63870344E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.92365899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74982401E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49178877E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.28522947E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.34718138E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03187490E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69718433E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77861949E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88759572E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07103449E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.64479238E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94055279E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17338368E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84763833E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07342083E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.19573576E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23569287E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02641670E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00404499E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13005785E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69942352E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45568724E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.04043832E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.49908791E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49749726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40672266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.87666798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31153993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28788138E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12676369E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41113237E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51581112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53940675E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07518744E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67196035E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37196026E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20611447E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02753123E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.93806506E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70485059E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.04431579E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03549598E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11960714E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14770801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.36636402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.55678698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96987016E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09904370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.04649450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22670558E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65178706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.84168073E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.21109113E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22065358E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30916326E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33580165E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.47743675E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89301017E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.89166195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.43634165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26317927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16398091E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.88388387E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84943099E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30528420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.50590247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.02297123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.42381890E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.58063910E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.91317990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.72852040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.13978070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.34081370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.97873010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.82152400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.23479660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.79924370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.86548330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "100": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49349262E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46188175E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99104261E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89094911E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.86049071E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46620726E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61436903E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83440010E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94626533E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04780117E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09100261E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93811422E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28758106E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84145681E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03935520E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87587903E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36305371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93613074E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11112619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65294326E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92661851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27569498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39077206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43232825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02118464E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96781507E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68234561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51829765E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19794251E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75031026E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.42294269E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42944361E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06805804E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72163529E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80193141E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00208630E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12193007E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.86451120E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03486732E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21402390E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02431742E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15112428E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.54249469E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39345993E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10002136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03938977E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30485757E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78876774E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50279808E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29457975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63871796E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57402212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45048922E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.12515766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44780690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35768613E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15876298E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.55083928E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57338201E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74559766E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14252197E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69258466E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39973148E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26983341E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04690387E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.00758534E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73306005E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.16918206E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09454433E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14881248E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16266541E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.44402243E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59780241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99283588E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11190090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.11312349E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25614611E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65943711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.78819321E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17744282E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20110292E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21687511E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.37930792E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.61889221E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95199473E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.16904397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.57630452E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33639582E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20363562E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.09823474E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.96368465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36244487E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.76799210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12829175E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.40868700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.62048060E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.07803200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.79064480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.36902140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.42193210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.97915070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.45648200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.34557590E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.96014430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.15168840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "101": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49060392E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46094491E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98594471E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88767056E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83846345E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45055321E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60277272E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74937684E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88653088E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00860346E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06706802E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80399296E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22182318E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81446771E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03036952E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84672492E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35939734E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94365650E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12069354E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73296179E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99529409E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34273171E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44311209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83219100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19078335E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11981105E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86092168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06777044E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83558568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00945546E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.77142933E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58654914E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12479606E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.79185746E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83831193E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.15700389E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18614554E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13053716E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14601043E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26098997E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22541295E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23846216E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.92821802E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56750774E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18070030E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07792821E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49444208E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88512877E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55328580E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.56478710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78650006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65498093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49674812E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.38877202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59280951E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43214303E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19291890E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69962943E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63399269E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96952321E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21490641E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71439074E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43192153E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34027634E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06782899E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.08148443E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76254032E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.29758925E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15449476E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17817781E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17760188E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.52087541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63802816E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01544994E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12447932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.17764830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.28382301E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66577594E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.71709634E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13403070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17767873E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11111798E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42253581E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.75914532E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.01045286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.44388646E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.71512476E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40912700E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24317173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.31267542E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.07740716E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41901789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.02612937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23138299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.25638570E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.66090540E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.24515500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.85364590E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.59942110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.50321850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.04672070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.14079020E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.45790590E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.14533370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.49343200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "102": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.48873322E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46044379E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98394027E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88698369E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.84491641E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46468753E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62126777E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.93981200E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05938801E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14668298E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16627323E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.45856091E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63185407E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06805122E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19381419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01114574E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24816004E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63492077E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63822640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00044584E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18187843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74881649E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13742015E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29684859E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64343684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40214168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47506410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27415370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.63889738E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30301814E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00881206E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76791773E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19728032E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.86293757E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87554746E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31728966E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25323744E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.41053933E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26369525E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31099681E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44060210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33230435E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03436466E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.75490441E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26728751E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11906032E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69550891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97497535E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58338900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.58127745E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69507489E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52853406E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39377003E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.51983603E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99481299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03027712E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01246038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87549345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32490335E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.84216941E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80908442E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60535688E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46342341E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41105485E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08908115E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15693724E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79279625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.43003214E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21658138E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.20867863E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19314986E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.60078792E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67967022E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03892264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13745767E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.24355628E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.31170925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67203439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.63749615E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08422557E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15143538E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.99465136E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.46685716E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.90270512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07018463E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.72424370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.85640434E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.48300936E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28324136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.52959812E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.19161837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47544849E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.28162483E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33232627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.04917430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.70191820E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.41772160E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.91907190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.83592810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.58608290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.09461720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.70309620E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.57357750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.37223790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.91989400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "103": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46118500E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45308878E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95722641E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87520939E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77966217E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42117133E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58779556E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.67227633E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84758615E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98893398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05767307E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77403886E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23503766E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85543510E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08475270E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40926836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81528230E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26983130E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35082685E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13887790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86900339E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87528305E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73787920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04481821E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35554103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67520947E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07473883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14774365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23658820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30619940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22928741E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73313652E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63669374E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.92868090E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91595326E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50108983E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33277685E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.75083995E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40972679E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37418690E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71713254E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45489067E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08952136E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00757560E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38575173E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17619480E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97935606E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13352912E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68536108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.28332583E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.19149544E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88601484E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63001299E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.17250528E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.03339718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67233525E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32012265E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.37055226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96127967E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13028258E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69294323E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88491543E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50262015E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49790924E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11505611E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.24919278E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82988230E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.59311184E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.29324607E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24645731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21248798E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.70133730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.73273497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06871390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15392505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.32770979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34853415E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68263094E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.57558505E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03663064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12521304E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.87393251E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60875718E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.36774033E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26497998E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06573210E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.33660591E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74215389E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42681388E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.34314986E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64329387E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71892284E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.53752007E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.91222793E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.66240340E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.74296030E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.58945350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.98385740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.21758620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.75443620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.98739100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.37724900E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.68919960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.63693460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.12218840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "104": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43339482E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44542257E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92783051E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86157265E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70303447E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37210606E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55238304E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.40277733E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63810752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82919868E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.38443797E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89935844E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60032647E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40182542E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65258901E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.29205393E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47448016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47817993E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41831865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07167575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79557620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22873222E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36628940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.27030324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75217932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70240318E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40890629E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.57692036E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91452982E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45524295E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73341156E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04757109E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99526789E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95722838E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.69005282E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41496393E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10363015E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56129967E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43974565E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00348062E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.58141004E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14623566E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.26685118E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50735731E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23489428E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27082146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26952714E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74430448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.56520074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.34738584E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98748688E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69639321E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62048229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32144456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85304913E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43794521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10381214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35122020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36221556E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41655070E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10976844E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56254223E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63375148E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15652514E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.39951042E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89152438E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87053951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.42728436E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31487359E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24875608E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.89908976E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84237544E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13025894E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18906146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.52695937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.45888811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74357819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.84117000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32025608E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31131946E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.77935814E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89294807E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.29735510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.65332558E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25272597E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.30109575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.26958925E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.72120081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.03305849E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.60870045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25608948E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04370725E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.44667814E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54737747E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.30170310E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.78372840E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.76360260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.04958920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.59310920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.91994760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.73934680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.38568880E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.80652420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.90271520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "105": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.40728852E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43844828E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90342084E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85183226E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66081454E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35261228E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54328700E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36212097E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62246752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82506544E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.38636424E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.91029792E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60942888E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40786423E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.68279220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30840883E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48224724E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48260196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31594181E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.06386968E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87192153E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24809527E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37652007E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33514117E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80674381E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75370492E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43394999E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79105391E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06880244E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61264135E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39060019E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33953996E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.05749681E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99668836E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87291743E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49521180E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.45075144E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71148850E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50512143E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29068771E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70896450E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20363093E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52951351E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63028098E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29398936E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56303937E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41839437E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82262318E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.98828665E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58580576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12372824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77459345E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00786175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58330612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00144278E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52268388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.57781843E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58067590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44601802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72195883E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21217882E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65386246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84109970E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21996884E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.62968310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98593198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.29574876E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.63255258E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41969027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30444320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.20599299E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.01486855E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22681972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24474335E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.84932839E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64214160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84917574E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.43541319E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67591123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49585460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.59984349E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15079441E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.13573384E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00221658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42048975E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.16468991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.74351293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98593646E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05561971E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.49316177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.75141357E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30708739E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.68487393E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89553000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.33993180E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.82537500E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.94024350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.11628250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.96674980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.08478220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.48274720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.16486580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.92550900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.16995090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "106": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37015508E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42862476E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86971296E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83902830E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61193141E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33581566E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54060578E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39351117E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67221519E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87233467E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.76219019E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18531173E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80473092E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54650412E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71339680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05200678E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00985878E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82754267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09697741E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74317711E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08892500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36653796E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44602381E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72908632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98996626E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83102239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49786978E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08993644E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21912852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75867785E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.01715178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61857986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10829795E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03325099E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04902863E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57421454E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.79767014E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86327182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57175754E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58537775E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84051334E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26304767E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.80212072E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75805666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35547342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86725827E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57340510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90389142E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04221598E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82679032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.25925377E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85156754E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05296572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83771666E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14538753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60317400E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.02501365E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79416514E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52212785E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.98676265E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29701555E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75181013E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06305161E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28774806E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.87510627E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08639824E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.74761613E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.85057732E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53101246E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36359541E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.53180605E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19770366E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.32897576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30359054E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.18978824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83600365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96144417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.07961982E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03481958E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67356314E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.37350323E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.35440516E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.79319454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.27478709E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55092014E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.83425739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.10988587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19042230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17318986E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.17742092E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.13531785E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51280755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.67468778E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23435531E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.25213350E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.86806680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.11936420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.18394290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.34030880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.24973520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.28037710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.38929850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.04620550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.43875960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "107": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36872902E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42811840E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86605883E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83622803E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59351143E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32474527E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53415223E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35333654E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64576553E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85579856E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.67819741E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.16023880E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81291978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56655260E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91132504E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17373067E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06352626E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84944998E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15732127E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22388752E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40772245E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50374395E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52643219E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14262214E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23480146E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97264953E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55993640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41166892E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36077369E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88745592E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59103837E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88087935E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.19248649E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07982421E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.25795973E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66478908E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01876890E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03180388E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64512552E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.90788619E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98382479E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32753124E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09688395E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89565197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42137542E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19168594E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73782311E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98974808E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08785039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07955197E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40081892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93170999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09952704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09926887E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29272410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68544740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47433877E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00582341E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59697016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23683478E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37303511E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85077164E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28714110E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35610367E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12222569E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18736181E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02006516E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.06863079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64205986E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42248407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.85540502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.37891084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43027750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36198606E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.52815906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02927918E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07405902E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.73219523E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38884727E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84590721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.11874627E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54320043E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.39986411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52566820E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67055722E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.44754123E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.44469073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37724964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28056645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.80189342E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.48613058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70216723E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.60118968E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.57443342E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.04397480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.91153830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.30098120E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.25258390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.71507690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.41536500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.11364280E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.59778900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.16858030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.70939440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "108": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34404034E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42148893E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84236314E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82646808E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.54973182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30390780E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52365155E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.29582964E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61170428E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83440821E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53399927E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05504650E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73503867E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51305864E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58623155E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03073774E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03275693E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86735548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15872834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24188595E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44306039E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54061305E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55227309E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.28378505E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37610095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08251825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65086240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96586450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66961764E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02891717E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23119688E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16481022E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25254367E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11942715E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.44649094E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74929720E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05596960E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19509363E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71704905E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22691476E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12658558E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39210383E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.39312205E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03424605E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48783970E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.51912283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90378781E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07648226E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13413182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33621412E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54442354E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01273212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14649093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.36265296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44202126E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76929877E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92588987E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21545305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66848750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.46716262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43988343E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95200461E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51596202E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42571806E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37309975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28953107E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06577951E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.28820699E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75368585E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48160007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.17963096E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56011813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53155044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42033502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.86601159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22250428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18701772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03904030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.74044302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01542124E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.84852668E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72563730E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.98368357E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.76657984E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78511399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.03425808E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.76440471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.55565695E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38304049E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.39676664E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.82067555E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88382132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.50003364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.91587655E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.01747770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.95572300E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.48508790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.32218810E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.09207020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.58208670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.97184500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.84681960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.29265740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.98210410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "109": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31891733E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41454656E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81607692E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81482325E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49179108E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27207976E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50514813E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.19293225E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56311483E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81750343E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.50513217E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06938643E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75511549E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52432007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.57460963E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95728059E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98049525E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86955244E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13665743E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03189745E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32026814E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46378911E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51132999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31091146E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37276901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10243454E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73794551E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.58617732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06106018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16423936E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.82542950E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42890695E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31371678E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16000842E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.64074475E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83674676E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09462250E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36556083E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79251953E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.56322211E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27760106E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46054569E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.70716086E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18091886E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55797995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.86369016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07802906E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16730375E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18248595E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60419051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69470017E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09752257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19567527E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.63769920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59773135E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85614162E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.38764899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42851270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74146223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.69512862E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50276988E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05704993E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.75331407E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49765522E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63042634E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39342782E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11186831E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.50778740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86447033E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53990408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.49767856E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.73720336E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63050328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47736622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.19692412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.41220866E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29841360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10438868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.08669045E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18175539E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.56518438E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.90565305E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.55746045E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00277651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89707715E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.60682211E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.07565016E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72922762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.48262377E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.97370273E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.14555212E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.06116894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.38508567E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.25915495E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.92862770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.00058900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.67167350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.39275610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.47200340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.75019800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.85499040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.08829130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.41842260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.25710390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "110": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34187440E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42072304E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83705299E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82243492E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52340844E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28713088E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51343205E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23670133E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58048610E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81916816E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46320177E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01975999E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71165870E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49136587E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35008337E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79088731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81522009E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69804567E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12397757E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.45352698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71605917E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71017917E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66347701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91337612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.74628855E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28607033E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77399509E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55254319E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89940448E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23289256E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02177679E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64522004E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41883056E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21374996E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.87796938E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93943547E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13901407E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55828469E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87673483E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93446576E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44294075E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53505429E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04779977E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33958813E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63360284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.23321488E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26347505E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26313981E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23309953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88250051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84948328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18416499E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24567385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.91594967E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75520316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94350834E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.84749985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63913310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81244131E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.91092335E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55981532E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15699518E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.97865775E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56614243E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.87723503E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49382207E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15666719E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72228148E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97309783E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59722780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.81064178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91141587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72788205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53345110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.52184020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59893348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40846087E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16939590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42973782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34638491E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.27361831E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.08430866E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01250762E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.23602108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00738788E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01704543E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.38148797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.89971334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.58032416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.53858639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.46404390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23584171E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02627147E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.60448112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08577830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.04612440E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.86077780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.46429950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.85554490E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.91997520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.77044600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.34069250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.54588490E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.53465440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "111": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29536080E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40827098E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79330180E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80489940E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.44598289E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25110442E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49660020E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16160894E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55257872E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81434228E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51727944E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10816105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80378778E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57379766E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.03797861E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25973907E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09463534E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84777005E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18449002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.67022794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85353685E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90026608E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78961671E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07237547E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.24619916E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60249420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97223256E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07695145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60675514E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47111768E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12196733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04188023E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.45323700E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24620699E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.04854786E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02017251E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17589897E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72476024E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95167691E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27269583E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59637998E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60516724E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.37157277E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49152923E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70649966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.59200506E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44491571E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35764320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28347399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16145081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00570890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27198008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29629681E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19876783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91632414E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03395752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03205937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.85533795E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88474453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12539393E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61387842E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26367516E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.21907228E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63892901E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13760211E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59883605E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20313141E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.94294658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08400849E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65538892E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.12658148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.08667641E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82567944E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58969074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.84722320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78559688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51821970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23428946E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77030831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50949978E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97632043E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.25997699E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06812669E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.46410186E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.11508393E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07208098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.67983865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.06614891E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67582114E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.09196591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.77743980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40878684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11374688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.95235725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19464490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.09231360E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.05237230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.53680870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.24309250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.09157760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.73225560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.63942360E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.67505050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.81487530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "112": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28389212E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40521807E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78180836E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79948430E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41886022E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23823867E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49197681E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.15543894E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56108459E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82523194E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.61243470E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18125511E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85477532E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60672189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26857498E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50415392E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36757664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10314095E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31656549E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20063162E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.00791740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90296683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78393463E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08011189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23563614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59463200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97855145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07147041E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51185273E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52949835E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15935551E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25697150E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52229832E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28950204E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.25561721E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11409123E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21781106E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.91121742E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03480680E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.64516614E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76433472E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68150313E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72224217E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65513678E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78446385E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.97283543E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63598487E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45630365E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33548904E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.44586477E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16274035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35940387E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34629367E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.47661555E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07452434E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12232559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07791448E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06380962E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95321250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.32264038E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66155757E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36670187E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.45083633E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70890942E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.38733622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.69943034E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24764497E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15471515E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.19072065E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71149871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.43183159E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.25615717E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92047727E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64429163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.16358297E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.96826487E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62632050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29862479E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.10799317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67149237E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06753088E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.44007924E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12499017E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.69679883E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.22451893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12780880E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.98100587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23377361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77154130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.64214729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.08792571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58030520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20082206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.30218881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30576120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.13915630E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.24655930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.61033030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.63512530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.26520630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.76734530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.96449580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.80594920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.09798200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "113": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27159881E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40170345E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76778279E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79291600E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.38362503E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21609054E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47575178E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03008499E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46355861E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75040258E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04151431E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75155764E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53569280E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37307481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53407402E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20525560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37971882E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33997226E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83762095E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58141239E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61382130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53690922E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.01634950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03290864E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60471895E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47729786E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64021574E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18793274E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44927938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20374421E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.99229360E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57573476E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.63528874E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75225900E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50983078E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24796520E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64954343E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14928246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09507122E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30970836E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07244246E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11250011E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50664341E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26359688E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53959609E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.46068271E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86375064E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02563592E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.67265709E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11799672E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75607157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.61375858E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18261559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70000696E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35903335E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31026021E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48336714E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85455071E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99758777E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49459133E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.73867961E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79593724E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.69820078E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82465111E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30302626E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.41786842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32315562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78108202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.81035833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46614915E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03734871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71131806E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.54996715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18568536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74758765E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36393206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.36450687E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.68694583E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.18405462E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40451400E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.92266206E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.32140168E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56372504E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.86342925E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.08510540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16226344E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14209456E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.87910766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.92251539E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35071410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.05357521E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77051730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.18501726E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.15617630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.51416570E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.03872220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.44541440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.10279190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.85201050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.38587330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "114": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26015314E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39854891E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75565477E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78732629E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35602078E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20184992E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46843637E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99306704E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44598878E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74302720E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.01905638E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75120557E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54265333E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38097138E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.60599474E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26022245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41897784E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37016296E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02769780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70339850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68880837E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58309151E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.32490334E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22420788E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71780975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54915471E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.10039972E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47906300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60728013E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82641022E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04686148E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61308592E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.82493471E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84237369E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55166858E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44049664E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73790984E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18988128E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28215677E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39630291E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11278479E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30242840E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59749659E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30793737E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.76092928E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57394374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92323957E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05747577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.84618254E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21365018E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81044858E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.91700346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.35338565E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79434538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41336789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61935067E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60399813E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96204817E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55595335E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57040334E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.90778208E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84637448E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.87553608E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89496189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33359826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.56070468E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39372378E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81741871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00034727E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.57127474E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09586726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74425561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.73473056E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.29280001E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81196786E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40463207E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63145174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86560315E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.86662349E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54209325E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.36181318E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.50212610E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64916395E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.29821377E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.31890173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29136879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21498675E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.29107092E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.15249841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47579818E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.69645516E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.85333690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.23307774E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.35479400E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.58886560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.44934280E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.62919300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.20334580E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.98572300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.67782090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "115": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24889988E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39543714E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74358069E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78166804E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.32722458E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18633822E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45993048E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.94599762E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42022640E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72910096E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94571063E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71426100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52535697E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37351665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.58243148E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25652182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42332461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37789001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07284289E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73171230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72987594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61036538E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53793956E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37576966E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81508265E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60876272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50489539E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77207800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76056297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.45114508E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.11415673E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65859504E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00556461E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95207538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60272459E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.67645003E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84683742E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24029049E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51648777E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50587001E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16438916E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54794083E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71605544E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36632600E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.05508081E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72597479E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00386560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10085887E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.08535137E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34604235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88629989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03532548E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60290994E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93876662E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49606870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10349443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87230274E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13586668E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14924363E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65009693E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.08930872E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90177994E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.07387721E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97477279E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36875066E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.72683772E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.47670328E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86061290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02356352E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.69897818E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16742822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78505096E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.96749831E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42827413E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89258948E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45494095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.95747515E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07845519E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10493343E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67532062E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.78563363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67616373E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73125757E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.71530985E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.54292446E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.41497123E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28473613E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.68598503E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37378558E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59718550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.32105148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.86933590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.28177235E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.55596590E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.66455780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.86695310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.81643690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.30282950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.12116530E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.97372580E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "116": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23782829E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39236248E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73158960E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77602240E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.29846329E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17086776E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45141631E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89804744E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39304996E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71371877E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85940622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66541385E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49715509E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35689957E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49487751E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21010082E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39974251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37103272E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02454373E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69871838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73603846E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61330884E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.56659604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43202011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85690773E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63046845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.70770654E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02632239E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89553537E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02275885E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.18846193E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70887639E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03118856E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07465431E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66011896E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94315573E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97055460E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29776005E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78418008E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63102504E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22321973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82689639E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85020292E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43208994E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38471488E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89540685E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09317097E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14851360E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34628599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48887032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96730471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08150612E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.86527652E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08968066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58217743E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.60788432E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16166945E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27759257E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73994779E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88618616E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.61867039E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06123777E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64191493E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20284932E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46936690E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.20425758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.71701405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98719159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09269598E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.08408842E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38207846E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90949786E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06964629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84421118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13077416E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58741635E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68994389E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.45463665E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26581305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.80612263E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.20053669E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.84620369E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81129166E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.12133221E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.76074492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53506837E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35248785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.07012125E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.58966038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71638381E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.93496557E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.06775240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.33110326E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.75966430E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.74122320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.02914380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.00702390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.40186230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.25833580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.27359040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "117": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25920449E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39787655E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74867098E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78121512E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31363865E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17401995E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45112450E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88759041E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38327961E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70606893E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80429257E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.62950620E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47664248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34663116E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46247261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21381399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41778720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40569710E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31793185E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93955561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87468979E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70749829E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00522684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72688489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02029726E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73636192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.32921938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38926567E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07779317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.77632229E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.28934205E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76496041E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05792477E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19810247E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71661308E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.20133863E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08881295E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35218727E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.03617722E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74843203E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27827320E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.08722594E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97492401E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49292818E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.68792029E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05031963E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17433245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19168866E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58178806E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61829562E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04080421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12342402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10370292E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22627225E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66150905E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08020682E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44252638E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41372447E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.31481958E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12045231E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.14672651E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22105255E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21254990E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43227294E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57064533E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68500744E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95885837E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11451384E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16204078E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46979498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59849316E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03515140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14335465E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.26602894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37292288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72336847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.44325586E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83551412E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41794524E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.93563347E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.60999230E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.01369025E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88998406E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.52015467E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.97451126E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.65287068E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41893035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.44719463E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.80207016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83426979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.54241563E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.43336790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.38107457E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.96588730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.81886220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.07227520E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.20088120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.50085240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.39721930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.57737450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "118": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24829947E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39484494E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73684339E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77563958E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28534875E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15892600E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44297065E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84292906E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35890318E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69284482E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73226428E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58831482E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45180201E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33079064E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36318594E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14574957E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36983112E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37043730E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03160527E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69580410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78607743E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65135652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.78413265E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63395830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00757843E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70887779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.17009847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54459568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17125866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.20262300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.35325333E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80944775E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08103957E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31021192E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76971547E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45064127E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20544916E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40668494E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29079454E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86757613E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33424951E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35218988E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10186595E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55477667E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99548803E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20694480E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25603267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23495363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81682191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74685165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11337803E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16445616E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33507489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35723395E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73775679E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.53233524E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71461208E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54480807E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87591573E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37637694E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.72323690E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39530250E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83344108E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68119517E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68017334E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.20333430E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21876374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25102266E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23613283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88142235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83084288E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17005480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22247587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.71995940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63412468E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87141360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.27211076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.26175850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60438079E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.06489942E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00176725E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.18016911E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.96805885E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.91536067E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.18610418E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.76938856E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.48461775E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.82011240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.01242935E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95144031E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.14623710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89891090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.43169809E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.17466280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.89748790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.11609730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.39800230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60011630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.53782520E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.88513390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-ae4z.1.element.json b/basis_set_exchange/data/dyall/dyall-ae4z.1.element.json new file mode 100644 index 00000000..92e1f1be --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-ae4z.1.element.json @@ -0,0 +1,600 @@ +{ + "molssi_bse_schema": { + "schema_type": "element", + "schema_version": "0.1" + }, + "name": "dyall-ae4z", + "description": "Dyall's all-electron 4-zeta primitive basis set", + "elements": { + "1": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "2": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "3": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "4": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "5": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "6": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "7": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "8": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "9": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "10": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "11": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "12": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "13": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "14": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "15": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "16": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "17": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "18": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "19": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "20": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "21": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "22": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "23": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "24": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "25": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "26": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "27": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "28": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "29": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "30": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "31": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "32": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "33": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "34": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "35": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "36": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "37": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "38": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "39": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "40": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "41": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "42": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "43": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "44": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "45": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "46": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "47": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "48": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "49": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "50": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "51": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "52": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "53": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "54": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "55": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "56": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "57": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "58": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "59": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "60": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "61": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "62": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "63": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "64": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "65": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "66": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "67": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "68": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "69": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "70": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "71": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "72": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "73": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "74": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "75": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "76": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "77": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "78": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "79": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "80": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "81": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "82": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "83": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "84": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "85": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "86": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "87": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "88": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "89": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "90": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "91": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "92": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "93": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "94": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "95": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "96": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "97": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "98": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "99": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "100": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "101": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "102": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "103": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "104": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "105": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "106": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "107": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "108": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "109": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "110": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "111": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "112": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "113": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "114": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "115": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "116": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "117": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + }, + "118": { + "components": [ + "dyall/dyall-ae4z.1.json" + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-ae4z.1.json b/basis_set_exchange/data/dyall/dyall-ae4z.1.json new file mode 100644 index 00000000..5834323c --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-ae4z.1.json @@ -0,0 +1,176317 @@ +{ + "molssi_bse_schema": { + "schema_type": "component", + "schema_version": "0.1" + }, + "description": "Dyall's all-electron 4-zeta primitive basis set", + "data_source": "Data from https://zenodo.org/records/7574629", + "elements": { + "1": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.29410792E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20952722E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37359117E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80348626E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21810233E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32951635E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66557370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82099274E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93685011E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31152966E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89277250E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47030934E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92601346E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14026390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70913732E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59764174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06034002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "2": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.62391395E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43456284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25522457E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.19962178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99531480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07885465E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18149637E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69909998E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08089586E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00340814E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27163555E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25523565E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75378224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41950551E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32782104E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16419965E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.68495795E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "3": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02620924E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00216610E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82441496E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93772327E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.34724363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30242831E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02607500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76314466E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64890261E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51150713E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51808159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68069754E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.15050038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91800255E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16708232E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19863265E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68248114E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44097081E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73116489E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97429533E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57540731E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89923834E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75836213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.68205983E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68848934E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16877207E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41143589E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61293523E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26902613E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04114144E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96344231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.17431693E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73685930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58055556E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.65630176E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.44471203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.34012231E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "4": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81236023E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.05482945E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74441011E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76366176E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50836569E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31555968E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03365963E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30420060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57401677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60416933E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.43414730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53276299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71482427E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32460168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15247113E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18909658E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51071595E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01994549E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27052370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16307349E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74157405E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81946204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26613377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30144943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53363164E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47698185E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13617123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28208601E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43754077E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00894161E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.70204672E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95528245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.70483711E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.64789363E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78482656E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21947584E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.41414564E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.77918377E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.44911267E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.02897899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "5": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56072387E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07166186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36847494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.59103521E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12590094E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61584435E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95427652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22051893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30749252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40605463E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12712665E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42574602E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67396455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32316932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54225866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57775620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18712909E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44384317E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95538684E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60198960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48258236E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52070355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22648436E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.60233816E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32053028E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97221154E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.04348027E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06776999E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16794808E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04321412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97271011E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84044416E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42913684E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.93492230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.23442122E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.60219107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.69308844E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "6": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26268487E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74102250E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77618328E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03585910E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30323200E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17250655E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51364407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85292100E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.01669725E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62052485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69163336E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12780068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99859083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97704309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48640354E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91971299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78931125E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08400011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96739252E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94271220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23141066E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.32416976E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38203166E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46735388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.59318241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97908003E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33893159E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85889413E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61104371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32268850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71847043E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.27755698E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25243609E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.82463356E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30323947E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.45546349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.84486214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "7": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95972410E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63056820E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60179251E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51628054E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78777893E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68623836E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44956202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63305439E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13351501E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09613531E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37238710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13682901E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58093751E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75561050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19893791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51424479E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50092884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11673224E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16480306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69044493E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10755074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16030141E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73548469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06082734E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.24118820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14302025E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83471522E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.86226308E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.32535679E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82020518E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.68067932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.53742571E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34244982E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.88242061E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84938429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.12719664E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.36664075E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "8": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82110194E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70802358E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.78252693E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08499989E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53030648E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28475263E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69158390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53281438E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51560748E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79636443E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15825334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51161224E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41252254E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.65639590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60311717E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35223345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31917485E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46867134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56556652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28743045E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11855656E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53816912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29534915E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74383290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22777515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46974669E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39427019E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00895329E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.31116920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39701166E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84112015E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34475982E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.64969282E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.10774197E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54114713E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.36302879E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.82371624E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "9": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92989578E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07414309E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04991421E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78240051E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.64295029E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00459236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13715020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60226924E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96701021E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79209496E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07524249E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94676696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53016962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69380633E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06704175E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45688519E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25166909E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86632476E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19437728E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65337612E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27421047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96900393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07164123E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51998340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57165089E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96432022E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01942633E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25472021E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05660810E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05231911E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.17582586E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79379981E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15447821E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.49937707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.38825162E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12227610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.35511778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "10": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23235171E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66705732E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36393713E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58269175E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10534651E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82235448E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44058430E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81026720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47607527E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10399273E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10670602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43548280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19040176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85449618E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58554259E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18045354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28945797E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30669403E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.06824311E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06908062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57907421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45395500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00674062E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39008145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95593331E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62704459E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71023085E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52357572E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31123264E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78537342E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.66783552E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29530804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.83707779E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.07740867E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.42542506E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49301485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.95807958E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "11": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34346485E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04845356E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17887484E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59701263E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85076947E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65471915E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.16653694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46467076E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04252868E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.62206362E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13229121E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01720084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99001210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50700757E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28253461E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.58105506E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17972129E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54625055E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49671871E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58289717E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66568880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74378679E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21082437E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64314843E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49370006E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69443651E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76705653E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18596745E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42278785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82238897E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.03267762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67036139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68581545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66755747E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38279701E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83941405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00019127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53783723E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17159879E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05454779E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56468854E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56882093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.29169375E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20046609E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12370706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84493095E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31560035E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.41887396E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.92486864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.97038162E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03417288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.35084841E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.30593565E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.12290222E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.81838645E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "12": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35066558E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50833262E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24126686E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39481998E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.27285420E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47844524E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.22210839E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67895560E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55370766E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88160618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17271474E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51308126E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.42309250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72979057E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90942491E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.81284448E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76894306E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38220782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18180608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79289051E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34606523E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93274023E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05880693E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17299767E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48900810E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70660667E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85511108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82134503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.76099376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78550969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23129797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68310540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65961289E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24316856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.70032114E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50916595E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16027227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53485119E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.29702126E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94843899E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86972903E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.44577448E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24019006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32664645E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55717309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.39168364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.50872921E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41719937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04087796E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18229542E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.72043432E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.69353583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.91205128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64757579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.82366042E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.40931133E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.28876681E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.07048307E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "13": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12228873E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.74446770E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19350635E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10634794E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.44078490E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21498729E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19495547E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76098314E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00755578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.87669181E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08670697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94741042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55290823E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80131604E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45945315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26681170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26736410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18276645E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60837367E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07843666E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26463023E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69727204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13328412E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83113354E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.87876942E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.17737267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51393572E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27759266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81467328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68656925E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.81729455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69397636E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75418419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.24109385E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37203071E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51203602E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.98916466E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19299553E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23642300E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.47354177E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47629461E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.47056729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06517185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.81970684E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66918250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97951281E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.98372237E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.37598524E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02513776E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.63508348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.23475289E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19416693E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83361732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.84130597E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.57773149E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.63854018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "14": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85467489E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99085388E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47412421E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85796237E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17474719E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.00328743E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48825536E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93019864E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50076720E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10572281E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09020704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42550033E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18982444E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97979441E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06347112E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58091260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.93367342E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06176718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07436018E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05670859E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61555303E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34629060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12288527E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26093123E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65198419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15527414E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50044713E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28186100E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25257635E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31969297E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07793637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13198453E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46543428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18068603E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22196124E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31364388E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96677407E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18722126E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59736848E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.53131702E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80627419E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.74070763E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58794436E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33200572E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.85578592E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82256465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14328827E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59832380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28389074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.58840330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51816042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.02312223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88700108E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.45614854E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.94340326E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.46635512E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "15": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52293110E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28322623E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78008817E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69940013E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43632843E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89924934E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82064427E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24780062E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05309768E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34845366E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20028262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95080128E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44593849E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26159230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71991785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92347118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.76504231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01977779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58297034E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32888828E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.06565916E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05022554E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46017284E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.81945679E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.21914685E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44333722E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32619195E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57439586E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.42919808E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83457603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31728648E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.28739455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03857319E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46830159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56336140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94246012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28025978E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.39664614E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.98952112E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.67124065E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19334972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.24156726E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.19425066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73400740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.41310495E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85426344E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56690601E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83876075E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55159605E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.58897874E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91460154E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.55879944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.48317061E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.02369538E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.37602689E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.51482785E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "16": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.16142169E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55349922E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08810652E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55882955E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70641299E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83366896E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16939128E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63388070E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63489325E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60453832E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37477737E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50896037E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71941864E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63670487E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42689156E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29371521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17463048E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05205208E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13304794E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62391529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61686339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80859138E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82473150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50535024E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.03084619E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76773927E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24200590E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89571039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.71319672E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39398360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57657053E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53785266E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66077206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78358081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.09551442E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65346863E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59654049E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.72760698E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.40658652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.88962278E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61709431E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.88686246E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85976446E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16669801E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21628672E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.99691216E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04556723E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09750531E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84368354E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.68333593E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37506899E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.44032496E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.26935913E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.21817990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.88654327E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.83982065E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "17": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57549748E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05505721E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34810198E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30984833E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94630345E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66885986E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48343210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89467592E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16919299E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84125613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46371640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02676431E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97306396E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91320008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08507380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63925821E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35745148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02604762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66650895E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91688614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.18557916E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58016383E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20163264E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02703604E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10603118E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12273861E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.22941754E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23880618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07499825E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98444333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84920905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.84906913E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31333579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11550066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74287592E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42023614E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93766710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16023011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85498341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11937796E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08042283E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16874616E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.58745962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62733533E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50473062E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22652869E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56939107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37330283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15938215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.86876893E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.89242835E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06320846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.24643518E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.42916212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.46071387E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.38011330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "18": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.85215539E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14581165E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61489322E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13969697E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22576950E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.68069029E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87439431E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14930973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85538873E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14863608E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89287173E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71310150E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31197392E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16265790E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96922305E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10429980E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60841103E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31212016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.34632158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27765183E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10367621E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49392119E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63911657E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22771081E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33252769E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51083167E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29359409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60514279E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05195604E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60777360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13586022E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02227464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99563447E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46219755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14855846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23532082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30132468E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.68872887E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33096108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25781205E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.58311790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36481024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.38362527E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12760327E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81697309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56227967E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13980610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.66428885E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50064473E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.15369351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.46933087E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31490711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.46331140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.65758742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.09341564E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.01086986E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "19": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13549079E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44783820E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74102681E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11254518E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31996593E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73831411E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08936224E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53987752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96582161E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.82413497E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.09167182E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95290834E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.57195763E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80522934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46322913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28634800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82901191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66685108E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97172682E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03503073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52191217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96049023E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52677330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.87029581E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97742364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97736337E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.75891610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82402564E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49678036E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11473059E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10653406E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.29525076E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50639829E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90192154E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29542856E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00261635E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13634900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78926839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72686327E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37197897E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21807594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35814612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35039295E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74571205E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10471140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76562732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52410076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32673865E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66889679E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79319352E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42877973E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38139415E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.85180750E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40236500E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.49580830E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62847130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.26195670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87798318E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13950837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.70229030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63280260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.52412988E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63333825E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.97286390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.64491020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.86983860E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61969149E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.99098690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.42751950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.06891409E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.91000750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29553834E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.49857020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "20": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04228680E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16345113E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82914701E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81107753E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29268529E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38191278E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65204830E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13021383E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84974996E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61449842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14723826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05304085E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04058386E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38295107E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83526157E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51710612E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22848822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50766318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47464024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31922150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18284625E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95343272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15504707E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13150218E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91667373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04283911E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12958451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57966129E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36436457E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69852566E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26579828E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99250811E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01201931E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62941937E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.20126371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62087687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19192000E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72247713E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86053748E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46603651E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.64564826E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03210840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10677559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09079258E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61328900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86357468E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29433694E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32649059E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03511566E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44643293E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.34469860E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55526690E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.11827140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85863020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.09873647E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70417082E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.56538402E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36206950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63218424E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.17542957E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.29550310E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00576600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12636170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97600263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.74015401E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.14450020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.99058802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18385168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.17359170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60298687E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.76716670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.86062450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "21": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04694391E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26845735E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32491991E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01593035E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.12695186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71976789E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10393775E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73026015E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12699122E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94620753E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80111360E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38336815E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21307065E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30543985E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33370352E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78751851E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70331313E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31725155E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91774117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54885174E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43494627E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64290702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53694524E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31789957E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84545000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48586730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31924554E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53869419E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77290281E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87205318E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59253008E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47033426E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09369459E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94921871E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.33442949E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07686365E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39242267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66183922E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32249528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70099871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.86934981E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.68053991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44757107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26696168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50384966E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29768774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47291316E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.08173966E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34872417E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57397767E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02572229E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83869110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37497256E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45777705E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.65777659E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18655042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56324644E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.63867006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67357935E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72864587E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.89625633E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.44155142E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64885250E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.47453546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32610698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.34575417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55104026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.26351076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35352306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.29698615E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.44728397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.00363825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.02699687E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.04605908E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.21534746E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.99603610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.63681233E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "22": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08249475E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44527181E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99869767E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25526531E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99949246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06372142E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25038087E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36667905E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40362397E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12070599E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41881953E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69614015E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37230189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13571503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78108239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03065213E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10154897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02390005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29884618E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75369047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.57312795E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28075846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89004489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50824452E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83930834E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97882926E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50008087E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45476199E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16565237E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03821881E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92874603E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96375850E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22403881E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28977209E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.55831503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57038782E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60860327E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66997291E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81645608E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95189652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01773635E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37497060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81491583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45721728E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45969867E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75774226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65502456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.84083915E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65281665E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69103875E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68983632E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08664625E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15796147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80747938E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.34825903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03937170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00768518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.96374567E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.86948322E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.32322345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06965398E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.65931893E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00954936E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.92893961E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50017766E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.51065624E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.32161344E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16309110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.39061751E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.75699676E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.30487518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.46946080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.58217530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.73244108E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.68097113E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.38487767E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "23": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11669596E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61849501E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65729493E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49371700E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89221781E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41095052E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39212147E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98346593E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68891755E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25573683E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.06008475E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00899163E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53242046E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.97972822E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23279407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27822916E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23998805E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79856949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72558276E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97660582E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08034422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96194784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26502365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70050638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.81553117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45277123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66845223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24353756E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50338278E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18141527E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34546846E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57759385E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.60012792E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68995492E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.95447257E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12359597E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84872238E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78455704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36140542E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22845195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16168170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13679212E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21528320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66249454E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47453822E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23620880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83531417E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.57015093E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93613595E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79771449E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31234295E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27323709E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.88478350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13155268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.90143156E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.81622561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40668223E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20114224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.90063212E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82663114E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30389930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.66550963E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.39225876E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.40610814E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.68379008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.41795532E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03925896E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.16860471E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.66078348E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.07957677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.06646202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.30708872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.36296677E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.22307180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.14109356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "24": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07994817E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49640006E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23382536E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34324672E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32309928E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18220237E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29641482E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56973330E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50349329E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17028799E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64851040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79850012E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41909835E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34531913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86932007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07005354E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12260399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.14860096E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37962845E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82272135E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00304346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54067579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98874347E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59215248E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.38750984E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32271465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61206536E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.21347401E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10592201E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05790041E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75368550E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16840314E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.91740609E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07526078E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13105675E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66489565E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08497637E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.88547044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90082025E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50247803E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30456256E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89443182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61393655E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86619598E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.47721508E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70622842E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00698997E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.25111502E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19844711E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89580992E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.92934962E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45460331E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.58446074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44200972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13870540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56074114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78888840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39678264E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88077493E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30135093E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52277720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.59253051E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.79495121E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.82366856E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.85509934E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.26436723E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32623476E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.09799939E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26626142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.38373970E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.64420847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.08681624E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.89935722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.75121341E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.69347549E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "25": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08358536E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57677885E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.68986271E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55628245E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.28607333E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61894043E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49838559E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52691847E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96689701E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39707288E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77570527E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36996946E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71370979E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89311140E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70195160E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52681578E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37593293E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56178296E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16459650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23208023E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22707927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80027209E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72982759E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96843454E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02621243E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19318560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88852392E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00897473E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93281092E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38872488E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35569567E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.03906429E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18151999E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61282357E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31494436E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.38181475E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39176317E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12916857E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58082163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84442093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48096904E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.82073921E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09700552E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11055882E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06613714E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25178424E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20888831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00408457E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.49136286E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00024396E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63056484E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65863152E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.36332347E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78424450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30109129E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.36815601E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20035402E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60576376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.91783634E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.79743802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74769583E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.52334828E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.21625030E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.43488953E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.08039402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.12254163E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61661013E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.03844275E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.57031710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.77342073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.24161701E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.94059985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.46587816E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.18480562E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.02584227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "26": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09543802E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64280244E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.98451059E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68907137E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.90338733E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89899022E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62404418E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08812223E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21705496E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50997933E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30045705E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62491821E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84474910E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.60320753E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09809838E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74968103E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50207128E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28172557E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.57564901E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45679462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35453098E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51976857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12930088E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18198998E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13558431E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71934228E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03196351E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08335386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25424091E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52180323E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98674721E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.95186813E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37949829E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16651113E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50138179E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09867922E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69549321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26747546E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24619525E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17764989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65271160E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72344143E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56973310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35023188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18271242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78947832E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40230371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07806313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76220091E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09569409E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.33761805E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86315774E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.14257727E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12622652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46334951E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.17582003E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.61150356E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81396818E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.94663568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28694260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96835386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.42899876E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.65903592E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.98594251E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29317430E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.97594770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90287708E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.95558589E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86396713E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.14587536E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.85699386E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.08568691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.05604862E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.59389083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.30142031E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "27": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09197104E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69684127E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.36036599E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87096299E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07009700E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23082280E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75972466E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65895577E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46834587E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62607403E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.86530678E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91383136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99814390E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04314919E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54799890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99622799E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63865136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04090624E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99561822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68639019E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48223526E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22332540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50303747E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37642118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23336227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.19068652E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16146945E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13777978E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49565076E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62930508E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66107891E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93196652E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59217515E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76166541E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70256793E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87650517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02620406E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41811754E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97011401E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.53982339E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83900888E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69925808E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07693623E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60490016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30521505E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34826532E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60003312E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15228523E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02977843E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18841512E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.06112917E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07202425E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.93763309E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.47474506E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62861892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.99853088E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02973032E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02514731E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.98577656E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.77862774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18853796E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.32502144E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.11969828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.56555533E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.51666463E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.86729740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20164704E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.91306950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17067173E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.53599621E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.51557269E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29351188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.70533949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.00829707E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.61744073E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "28": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13133295E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84821113E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94684600E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08653159E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15203336E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.56858271E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90835410E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32295369E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76650765E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76244611E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51192378E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23135321E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15795338E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12575248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98957771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23793780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77116095E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.76266012E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38794371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89134685E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59504975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84531811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83975704E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55612549E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32636300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65424637E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33270509E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21209696E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80965648E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76061546E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.50909017E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13761782E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84726900E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.45698898E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93233270E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.74863788E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39200223E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58326146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.75906926E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93291889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04061853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07536737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.62521016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87959990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43682299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94517675E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81163223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23027553E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30432841E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28110071E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.82426697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29144402E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77117128E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83956652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80150010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.85897895E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46691185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24563246E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10680795E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.28838308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41510581E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02363788E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.60173847E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.17247749E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.75054942E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.80443011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.51508374E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.91667774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49191649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.94392143E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.23943362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.52870080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.46026478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.43477379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.00215821E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "29": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06872119E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66744889E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32084685E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85372185E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05716588E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.15523541E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72125855E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46651318E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37594158E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58274777E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65963613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81341193E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94844089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01917036E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43721911E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94505890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61280846E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89318870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.91341383E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68150236E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48861735E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.26190684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44827667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38614399E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25949069E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47062924E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35907386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16236240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61592643E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71414234E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31646686E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.32844607E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10521881E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16751233E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16769364E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.64219102E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76669950E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75228814E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.56556241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33437593E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24649747E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18301059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.18409401E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15894716E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57034545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.54853508E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02107106E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30599794E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56750898E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36890801E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.55532041E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50526957E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.59241857E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20116462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97340960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.71565538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.90109836E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46352577E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21320102E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.78744029E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63636175E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11244573E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.10474271E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.67420791E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.95845548E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.77600324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84162367E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.96850736E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.83056920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.34652432E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.03069294E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.79443678E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.33935881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.87565614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.15320412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "30": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07593155E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72212271E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63858453E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02261612E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14351473E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58015421E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92983368E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50176886E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89529499E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84643855E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.01429466E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51577818E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31532927E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21208457E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.45998850E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49483438E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91466131E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05913265E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88244907E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20021039E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77849857E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.90913672E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42648814E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89471392E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51472192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66765942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63572624E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33872831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41048704E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04414989E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.39336047E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08946717E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43910723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.06956198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46129189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74194990E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22354877E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95720571E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.54050737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81922318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49489763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31302824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86363894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49744915E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73082185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26719830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28392657E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39952619E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88121713E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46876869E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01852954E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96503030E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13204871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.95718763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.33426173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15260581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84568111E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96207967E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47423241E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12946600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29856175E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40880452E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.63402335E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.46252175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.24797337E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01068672E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.31518803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06702579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.43432718E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.81375404E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.14128641E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.20146922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.78654579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.49186354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.38472241E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "31": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96089449E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44831720E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61552488E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65237057E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01712385E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20623898E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84428794E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41297024E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95307377E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90529584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.39666300E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72979768E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42518429E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26480781E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70024560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60443705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96990836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09120155E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09090649E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35830923E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89034268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07030753E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.00108724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22591019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71590896E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90966451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61458973E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87413182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04125769E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23405667E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59297069E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33812938E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09422688E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41733512E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74137088E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81743374E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.69292056E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50283993E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68571886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46628691E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38118144E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31883166E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24307375E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60221463E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44178031E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75991005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72010115E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66397680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59088832E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.82556004E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89847306E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18749622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.44560184E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31308059E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74935081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71362840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34399334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.85110343E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49998836E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76630535E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78040415E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31414477E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09574474E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.31207616E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.20619950E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.26669130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.65812180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22480280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.13113230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39235020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.90072500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.04131130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.48465320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.49733170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.70975090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.18122790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.42526350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "32": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00653301E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58795422E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41614651E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02809507E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18621897E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95354821E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18392771E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00281015E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74371108E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29278607E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12808505E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65111021E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88553310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50131525E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.94974389E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27963357E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33911242E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29436321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20898126E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95951913E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22307777E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25502237E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01764419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78397160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02511406E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06110439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48212851E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33515093E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13079414E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30643062E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96655628E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88679730E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25057813E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71960290E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.67928160E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15315228E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.03753985E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.08978721E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95930546E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.81027836E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06808786E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67899686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43622490E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.64995950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99943429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05526181E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02937774E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46925847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01059196E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85077118E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80829013E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38690362E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.00377886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52301112E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.66744668E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.15302506E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56526170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.01195213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12025569E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09917493E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05570626E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.22133441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52826930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03879707E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.77821930E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01323390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.99879760E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41607460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.85872840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.68460600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.08270040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88572650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.99907380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.82558490E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.20853750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.52867340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.29850410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "33": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00115508E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58411384E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51118879E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13773139E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27769747E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.57671019E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54374901E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18326795E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58488516E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68076037E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31031973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52903974E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32155388E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72529899E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.13798749E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92727302E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69728368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49216984E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28794948E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53466741E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53952188E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43043651E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.98826495E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33298452E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33589497E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23815991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55919721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88711802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39917947E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56551668E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34152350E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44580797E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43814585E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03056622E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64231339E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49574806E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03974177E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67768089E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23097254E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11341935E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73962472E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02860403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62247284E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65461989E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53759510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34664734E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18965094E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.34791674E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45230350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09406101E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73862323E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60183683E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.60418243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74788637E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64659826E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.62104908E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80125294E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.25291461E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78630940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45993056E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25268972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.30122308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13727739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31060278E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.36340370E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09940560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.33980730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61450470E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.61650420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.99097520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.95325010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27299900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.53213930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.12147240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.73316600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.01828780E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.21664880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "34": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91593101E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62169775E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89176751E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37340512E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40999323E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26665742E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88825184E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35034653E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.37195391E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04676530E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48546827E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.40208285E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76660030E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95394995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03146733E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53049132E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00772447E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65609510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.18101699E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02849306E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82504619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59845844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98132089E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82168403E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60970398E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39454081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.50176260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35849381E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63814063E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71081154E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75309494E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05936956E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.73316063E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36574648E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66184434E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85273973E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17994342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27857691E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50591044E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24587055E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.40482645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37325844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80608927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.64781233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07098484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63733412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35088575E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25167048E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.90391995E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30783230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69184458E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92909664E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.50957204E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08581489E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.11604116E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32554602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15761535E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11367515E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.80495566E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00791395E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53558403E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46980965E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83603244E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61867736E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.97654950E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18538720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.68155290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.82069080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.40663550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.31218800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.04177410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.78907440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.08600590E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.26661920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.28396300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.72879080E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.17985960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "35": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00415163E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66835159E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16122790E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54871889E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52639226E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.93656921E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21216590E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49349131E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01983430E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35721480E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63924554E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.17116242E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.15362236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15100296E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13360198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07162395E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29979165E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81489395E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00423254E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49563078E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08070264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73917366E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.75798563E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25758346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86830634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54951182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.47947017E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84705396E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88856063E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93378600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15366937E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65842980E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99991800E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69431072E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65996047E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19973144E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31485999E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85166374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76669702E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37132015E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.03587068E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70147396E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98159804E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05994892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58469383E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92068966E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50996211E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16822317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36348190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52633693E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.67243501E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07164147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.89926605E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23008156E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.73759806E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61836295E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30405742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18973726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.20836310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23421738E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67913744E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.70266782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59929469E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95251173E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06130360E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27141690E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.02503310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03504280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.23060310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.64874480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.26946570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.41662860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.66223930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.41813420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.86135850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.57431470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.18848000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "36": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.80722628E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63969789E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.30612463E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74159549E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67601811E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77127691E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60917773E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67521319E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.84716204E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73282723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81147914E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98468478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.55336554E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35434426E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23954892E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.63242454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60035699E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97765289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09263619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96935037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34963478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89573982E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06813258E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79511323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19234244E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74262663E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.68140330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46194139E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19473481E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03764968E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67939166E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44893307E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16639883E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12188221E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.94980123E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64614471E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48758974E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58162901E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09679495E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52857063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.81568824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09922546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18965038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17020768E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16536132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23295894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68109317E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13485216E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84708060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75633980E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.70292298E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.33030445E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.60368013E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49060085E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08617705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.15265824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57287980E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33084094E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.96609746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64680991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90635777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.99546949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42127221E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30943434E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12743250E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35748270E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.36972540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25785540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.08953850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00103330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.61765760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.18637850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.26014270E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.57614090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.46573240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.51236770E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.02428860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "37": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.73958229E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61676114E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16368028E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63865865E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60167190E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35046542E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41375779E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59124566E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49457109E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58708009E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75279641E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.75675702E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46648281E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32036001E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22563274E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57593134E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58035601E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97317822E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09373014E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97614010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35199848E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89225083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06247497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78753508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22568727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79245141E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25002079E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88806380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59275782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38239249E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84073663E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68561384E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08730430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11404763E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18459002E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23576209E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33474942E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55679260E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12623300E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10030292E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66370677E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.32930016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43848992E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69471822E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66470920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54749243E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43255355E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30762619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02822342E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79181379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04445875E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05989893E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42063058E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75166935E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38344281E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40500561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82981894E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51479598E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.85788837E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61377959E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.37076534E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77322450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20777746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72982528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86337217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48357570E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.78927332E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09748029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15861511E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16453489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.90598179E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08922669E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78357852E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37758178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19649010E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.46452040E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.83461720E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49173420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.99500410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37518010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13732908E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.19801056E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.96040680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.69831621E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.94756110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.74176540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.10246310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.13594130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.44558010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.13498600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "38": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55372301E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56470515E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.95789436E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53612758E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54300054E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03610613E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25120967E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50916912E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.09560096E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39843202E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66285615E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31383055E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24351505E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20652991E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16548935E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.24148632E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38682170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85963785E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02837368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59664725E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12340456E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74818624E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65172924E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27821659E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92273323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59024547E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67209709E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59933247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40663492E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.11697936E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07010959E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63090233E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35951434E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86588338E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.30259222E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56698157E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16406523E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30806628E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71628020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89775088E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.30621836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.87584493E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90102122E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.68009307E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06438625E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70484835E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45106614E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79708604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21463384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28964235E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21706460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.37305209E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34638438E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74857191E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99516503E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55755002E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29961397E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15323828E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93562364E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.23516939E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09066953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34402971E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.37537132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18771441E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65372261E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.70330779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59365637E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42997343E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33601235E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.46617783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86748937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53901049E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.05239054E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26768770E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55518830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.20102830E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.73579170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.94295830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.76892160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31750491E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.23414361E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38624800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27202100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.06015220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.91478390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.77028640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.07981880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.13323090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.71360960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.25080540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "39": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.48880343E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54355230E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.82661415E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43478415E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46818402E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.59179703E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03201372E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41184889E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69031475E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23811123E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60059066E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07208760E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14623890E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16274453E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14480171E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15374620E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35645836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85207151E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02909322E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64579321E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17401891E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79035564E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.97054657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53616050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10982533E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71557009E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.28897869E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98860963E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63553881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09898413E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65831728E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88494081E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48330882E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71076500E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62632048E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85160803E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90181130E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52936102E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47128917E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18568575E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.50825927E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.41481861E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15689898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09538322E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72026532E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05258438E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63926791E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.88111617E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86595766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70890231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51020794E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.18872852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42116112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35291685E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11203579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54703962E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73898293E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34107904E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.78413353E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81826222E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.65850063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84704547E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34303151E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.75192723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.53830368E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91209284E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04735920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74902586E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14475028E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68071539E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.50346226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12630425E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94358547E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83555742E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81662103E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33969580E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56117400E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.02853520E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.99052660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09352310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.18366900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45867720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.13780050E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.39158832E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07281768E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.28418158E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.76139400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.07021750E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.09548960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.47090560E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29799520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.25386864E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.25835205E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.19450700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.37184540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.36519333E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.88397800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "40": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.39294069E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51328129E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71427083E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37774108E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42040122E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21592790E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80287718E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29756974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.16722660E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99839210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48753144E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52842236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88579174E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04213466E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09057128E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90480324E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23294126E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78452022E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89786678E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47883113E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08232732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73172665E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.44195762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30035571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98293120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62495294E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94041483E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90905393E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67472714E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23482899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30413099E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24525160E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68005294E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.37184502E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.68396861E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08208731E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.50751472E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71216448E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09315194E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42126199E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04859583E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.85167089E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36397299E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19838245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25122150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33453295E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79192293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69980454E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29947232E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93182201E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60798608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62340301E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60807028E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43474679E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16162779E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73036877E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83410529E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39284814E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.15814742E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91725742E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.02671948E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00966036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42232464E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.16275138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.76022175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03561382E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11718870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15155501E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38144371E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82221409E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.36531788E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66008152E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25525852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05205041E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.64519647E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41657390E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65720990E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.40420850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.25443950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19650150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.61522460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63285940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02399187E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.36807069E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25481121E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.18270400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.13517520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.28307150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.20005790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.46379060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.44824198E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.01300241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.71000800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.49766610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.46936917E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.15645630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "41": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.17834910E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45520647E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50711756E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30491081E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41404384E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38703773E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95737230E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38064612E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53275238E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15010847E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55181187E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80782634E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.00604611E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09113132E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10821116E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95534910E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24222045E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78410289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88010847E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47888627E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08072927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72837742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41934334E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29584485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97987320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61633465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.78927875E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73724928E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48056494E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20933198E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05408902E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17265366E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70744561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.20053149E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10342579E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37776084E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.28086721E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94339115E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87052910E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71242149E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16824435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.38139705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61266891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32081517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87545659E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66216071E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96732657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06470485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81394180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21745455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76787396E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.49434243E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07923154E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68393083E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27579823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24111220E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05697444E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48693879E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.51052159E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75735289E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46980817E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78015101E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31667518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63098684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48068136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88072472E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02736565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63503439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07910262E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64555685E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.45857954E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20175745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01929231E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34711011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10301204E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49641890E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75164870E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.77406220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52801750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30341760E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.06485070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52701315E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.37430649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91072117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.36907100E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.20324450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.47784120E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.95929630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60147040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.51410503E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.88657174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.62190600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.62839430E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.24395997E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.08132010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "42": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.97647920E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39995988E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29083825E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19804809E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34508362E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95878766E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74716553E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29413107E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17893660E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99485816E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48125723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48948161E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86111974E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02169032E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07331397E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77850191E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15299718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73712520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.58532388E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36880264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03567495E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70966176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24998043E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23965788E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96583949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64023573E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86859328E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73375966E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38273606E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21856526E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09518121E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16166758E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65394412E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07327488E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24962998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70175549E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.13240185E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19820339E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72605495E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03199789E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29918096E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.95950304E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88341611E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45392630E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55470125E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01957346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15954630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17077997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41327324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57065628E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98079165E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07103262E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.74287895E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02396414E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40226566E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78151377E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27999640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57539602E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.51052159E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75735289E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46980817E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78015101E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31667518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63098684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48068136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88072472E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02736565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63503439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07910262E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64555685E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.45857954E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20175745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01929231E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34711011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10301204E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.57924980E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84616550E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.15059510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.81005950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41375970E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.52887110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81106029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.52515500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33727868E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.79092900E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.27349000E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.67905540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.74444150E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.76797800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17046736E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.68264253E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.22754800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.76368750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.19422842E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.73140930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "43": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96248061E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39064156E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22079709E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15380620E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32025444E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81514358E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66002779E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24868500E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99038202E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92835142E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45775577E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39141597E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81646745E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00350331E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06742079E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76650965E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15395310E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73845692E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55449571E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36024973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03475748E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71373252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.34476936E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33563567E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03532684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66325251E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02083266E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79840149E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29515729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24313575E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26077215E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22834841E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64995440E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02402613E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41065723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06188313E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08554268E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48466517E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.68827920E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39052808E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44545138E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60200974E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18272005E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60026948E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29731709E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40807361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36752533E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29989204E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29755039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25180366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50580931E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37533845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38313311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82848841E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69682265E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.11250696E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80728081E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76572426E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.98450029E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38268635E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.67959251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.70580828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74916219E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.81350571E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.63531997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51635024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38673054E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68862540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.27066941E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.33826012E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24018901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.39237800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.19853010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53843621E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.95166555E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.66428480E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.96246820E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.60008090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.10084710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52764100E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.00782360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91277213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.81936146E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.36464188E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.88214000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.34292990E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.88685540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.05559940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.97015390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.35722453E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.35279769E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.45093240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.90361390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.45784268E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.15261420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "44": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67995959E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29382300E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75456770E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89899329E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17093236E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95936475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18461459E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94937078E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.68030284E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26815862E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12867413E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75447910E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00497951E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60545129E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76429266E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89193671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79562947E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64120558E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00361133E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40557464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07542606E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54969772E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59675967E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89415316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01321649E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54064429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95698644E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07759711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75886478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94873639E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14046375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17039851E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37085595E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.83428848E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55294950E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38516943E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.94803460E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74423602E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.55725794E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71274861E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57632983E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.17564463E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45015622E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73137029E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96461003E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.75754209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55409041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39087499E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.71842841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44632521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63303987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48086140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.04670229E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.17805734E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86744880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.75225638E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02796064E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83984361E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.70641691E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31173300E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.42640720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59780655E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69695262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.53411826E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47998692E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42571020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33144253E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.36227453E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.07328349E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21509541E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16705037E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.95593892E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93720576E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39001633E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.18087625E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75415220E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07471290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.02996500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.40185740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64563700E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.50591270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.39042326E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.90437153E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23510964E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07837000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.41650890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.10213140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.13990580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.61790024E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.41752884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.80584300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.04855950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.18648429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.95494800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "45": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.65528664E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29015135E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75307298E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90148746E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17384456E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98313075E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20139402E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00564315E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73961199E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29665635E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14204953E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82148220E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03773655E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62031398E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83118319E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92226094E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81012736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65038138E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01200509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41489690E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11024043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59155868E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60465660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.95972016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08590376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59962537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96246820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08541693E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81788139E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95298949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17330737E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28113903E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41570950E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07887173E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72049534E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76638327E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96687313E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05158979E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05856934E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09162479E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72872147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.83639928E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75485884E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87933624E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.71315494E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.14855091E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76304220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49693488E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22783493E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64019333E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65254785E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46018892E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.88359197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10990739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81427808E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46996856E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93033944E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81657233E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.32362702E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46217102E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.93421762E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80144277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78708063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.95182215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.68173642E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52467594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38031774E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.62316562E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20831250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27692242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19134854E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.00744084E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90585746E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34223627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.80303882E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84666250E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18780180E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.46938290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.71174420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76721710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.01903700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72353261E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02594380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.73889855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24630000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.49233430E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.32405170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.22686630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.85263469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.38120578E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.12706900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.19816180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.36747079E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.55823600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "46": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51812592E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25312129E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.62674848E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85501661E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15534880E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90874551E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17267560E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94069531E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69022637E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27618592E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13377650E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78544068E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02032095E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61177183E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79174094E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90499196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80040394E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63940376E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96487026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30808423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06321205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56797833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57773802E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91160850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08221670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61998698E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97763589E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08906546E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77993974E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78806570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19297678E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37702384E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46424189E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15301095E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85634615E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07999144E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08063449E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30334336E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14221656E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39871976E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85232935E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37377002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00327119E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99987929E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03195143E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46198273E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92773111E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59382173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.86034458E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.12111954E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04772554E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70254077E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.19914931E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74215051E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05181526E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.47558038E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31372377E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95020699E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.24551095E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44336371E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87409461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77945519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.77897492E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.92667875E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67798703E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52679553E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38266702E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.63647435E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21421514E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27993188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19299190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01255077E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90324739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33772176E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77825219E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.94258020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.30034850E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.90769460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.03546690E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89460220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.56047090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.86610434E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06563510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.72280095E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24093400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.57096810E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.55526930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.31790160E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.04666180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.13684776E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.37894930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.35394060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.51283301E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.04277640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "47": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48891523E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24801230E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.62438887E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86055954E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15965255E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92939899E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18198792E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.98411680E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70679206E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27890856E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13124763E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75332969E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99877414E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60172857E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.75654182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89165391E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78852819E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62443801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86086937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28069484E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07799824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58644148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60577541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.87584049E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05999232E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62654553E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99713269E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09599752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77593340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64375865E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19962261E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43939092E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50202023E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26556837E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06382482E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56349994E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21179486E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70275223E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27626808E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89244671E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05072673E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.23331049E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39936297E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19206288E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12911766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.96947967E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20001156E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73503427E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.58240254E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47117471E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20131958E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79090024E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74489090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.04624400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14257417E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.83290668E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45900405E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00794840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15052764E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00301320E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08201828E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.58361687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14992839E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07795136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.64961893E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05863444E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68196766E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.33928624E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.20513639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86083816E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52523078E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.87359839E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92251598E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87141456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.33940475E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.04191780E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.42006690E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.37902350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.36413070E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.02368430E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.10660210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.33094125E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27994082E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.71950493E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.57316830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.65067090E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.79103920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.41051960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.35526355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.62426587E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.87475520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.51319550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.73565663E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.78552200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "48": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20023173E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17441096E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.38458457E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77325105E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12639702E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80055304E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12972215E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.75883209E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60704465E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23605243E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11376057E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.67999973E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96231491E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58052044E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63725283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83889756E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77785149E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63296054E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.85753247E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18810565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97675034E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52557376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55860220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.72812221E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99805963E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60179992E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01320778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10757231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83219975E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32796825E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18064947E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73965776E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77203739E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38506049E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29325518E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.10539203E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35914491E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14974331E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42545570E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43782949E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26810004E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01681761E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82736834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39834541E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23259002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50417353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48314679E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88440827E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03743216E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88581814E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38132404E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85942001E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96850609E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13279905E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16102745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.85419757E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46412681E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01364746E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38458253E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57970380E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28115651E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.40216858E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52604275E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26564966E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63821936E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.60303345E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99217794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11269890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25547521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48041742E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88236338E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.88473488E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.02544664E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44708899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10682149E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.14467730E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.52691900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.81859090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.70364850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15731280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.67190470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.63131702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40791020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.29555127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76518400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.73480390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.03439200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.50617950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.63745469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.95665443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.31888500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.67751210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.95264687E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.50882300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "49": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.15588245E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16045574E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33477450E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75473708E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11752317E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75031204E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10031399E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.58683237E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50823159E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18110960E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08447170E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53038708E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88744113E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54276410E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45133951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76109691E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75869671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63645634E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.98331809E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17344602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89196819E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49764133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54309278E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01226513E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35325824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83725065E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20812109E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23484177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.64108187E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82023340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46951339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.27042078E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51420024E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14285261E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10703479E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39835192E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12827356E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32812540E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.24543567E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14156932E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28026580E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56784261E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56979056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24621086E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29312238E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28629638E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76154495E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62510513E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.33583798E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96794314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63502866E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.11368009E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07673330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75164607E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44337869E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.33302406E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38865368E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48397466E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35997650E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69840652E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62905241E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17442205E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48416435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22726937E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89889986E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44741769E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56912295E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09825860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26442772E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26477037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12674685E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98695627E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17753145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16612944E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22156071E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41625730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84820517E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.26727498E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25109560E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.57430180E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00776640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.05303850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29485140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.25481990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.56172340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83190220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.22085400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00472350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70975610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.82463030E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.28501690E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60483650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.03282350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.20819160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.42676730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.84688440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.34036840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "50": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96795500E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11119522E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16696365E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69225712E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09392608E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66481899E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07119015E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49506494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48270474E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17399110E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08086310E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49968365E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86206988E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52365581E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30254969E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.63322519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65118336E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57309286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04467316E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13295895E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47433517E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70077218E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58933254E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.77317714E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01995245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71106157E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27068593E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34243415E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51652042E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50622525E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85093891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.21194301E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43489075E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.35240669E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.93626260E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66826171E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.00364173E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62508245E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36979134E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58154675E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45827428E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32551995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.90565733E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40227219E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.05148797E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66566945E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95574797E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06434677E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88793257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27612146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80870206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00907428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63112444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05778465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60852839E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22049370E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79623210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74936279E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77264302E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37443498E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81464427E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61331704E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63137076E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82315856E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17168340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58413900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.29945687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.50715619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50183081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40479225E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96553731E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.49050650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47535735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34007678E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.21422907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95454416E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15733668E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83341652E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.36144150E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.71754030E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06203640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.41283740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.43660300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.85630240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.25231200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12818070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.55201800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.99547860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51527680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.91320770E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.54311940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.70654790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.37232760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.38464500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.57815540E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.02139470E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.63459270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "51": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96183736E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11770846E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24859422E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75776115E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14329604E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99844720E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27945882E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07192363E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17368532E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55332333E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28692474E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.62033548E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47390862E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85796473E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01284262E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63772738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21324445E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88100672E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14093315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08796491E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44689041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77199249E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72432481E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08915047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01556281E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51396529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78364080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60957886E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89378396E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16431948E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23007258E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11345555E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35543852E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46221985E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01575242E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73713577E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29076973E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74815689E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.81812873E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74972535E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52932859E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.63693278E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05255930E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47582981E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.42560194E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86085028E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05997565E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12083771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.19960605E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45050581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90776728E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06780077E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.98157113E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27450729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73958628E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.00011195E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19048142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98678088E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07208894E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01806964E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02828772E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.13345512E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80825272E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.54321537E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49975947E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74617448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.14523329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.96621556E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75900582E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55087396E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.80992657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.98159467E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75855835E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50373012E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.18803797E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61537144E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61884581E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08787865E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47589940E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.86844350E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11878680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.78320450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58262730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04766410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.03496760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.44815710E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.95627000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.50108840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76260620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.00363260E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.80874660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.81133130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.71690130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.56501180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.82470610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.20107830E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.93676480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "52": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64921967E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03542260E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98011284E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66692233E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11057307E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87189939E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23301043E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05935164E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17247054E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57889872E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30739978E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74230971E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54575394E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90220278E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03868905E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76133414E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24520201E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86056671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16255975E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75677524E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02273345E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06791292E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82195171E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10037387E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.72631348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36188584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98886509E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81337912E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01746450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.00002959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67445531E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33179820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.37403776E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36474997E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00682219E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73666052E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.33201925E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76752445E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89387210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77871882E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53797598E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66109925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05449776E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47228205E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40299262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85482156E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06264274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12714149E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26637153E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50578629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94713640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09734793E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.18387767E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41397530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83771080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.67533600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63236006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22726041E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03408124E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64368215E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26643760E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71896131E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00761489E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.34712110E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86075576E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92186315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00516991E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.45435516E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03152607E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70557763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.70334581E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.50009364E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05625000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67393921E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.17817885E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.31938197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14870464E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31570142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.59412550E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.02342170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17705330E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.16408510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.73288550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11156640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.94340740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79719200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14495060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.15526450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09779310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.09591210E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.08203340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.91922580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.06793730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.74990320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.23230650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.38595330E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.24762180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "53": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75365422E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06052271E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.04966800E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68476767E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11295770E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85414028E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20826551E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03787647E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02023587E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49017141E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26462518E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56464598E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47778727E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87838395E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03424435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81260331E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34671847E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00232310E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33637605E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86420817E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54897239E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37188981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02948805E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25764128E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92589996E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99285613E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04826068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83146114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05865773E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59420261E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96538666E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50008039E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26099076E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44372215E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03169623E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82766903E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65131734E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87398191E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02689658E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92117613E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59550559E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.90789337E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16803140E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52745737E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.68260494E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00298566E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14421578E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17291115E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52493038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65241026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03134259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14805683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48843926E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.60113357E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95898028E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04660173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15039002E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50180625E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17406775E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.31584035E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45319443E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15612266E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15091401E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.91788278E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11843081E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04852930E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07114742E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.81282220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23298023E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82144132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03853878E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.90439528E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29322752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81477002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00379286E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.05033104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.72516891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55800800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.71721330E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.17102740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.23355350E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.55572560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.88747240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17737170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.02111280E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.18008440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30446710E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.88274980E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50201210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.19105070E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.36292480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.03022010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.42632440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.93971140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.73129560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.57603810E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.56761180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "54": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59319702E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01918471E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.91309608E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63380369E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09275933E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77350472E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17435726E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02200669E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94008883E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44884159E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24332346E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.45528007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42234753E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85153999E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02289931E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77979942E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34913890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01130530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32253635E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80314465E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55872930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39231809E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03080521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26921523E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.95474085E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99886482E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07079790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88151538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10615171E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82742939E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11565390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59906614E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.84762919E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39431194E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01937765E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77691569E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46774034E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81825550E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00908058E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85988085E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57325284E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81865918E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12812676E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50844345E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.58874581E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95642406E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12254704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16479160E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50731143E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66003409E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04705152E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16487329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61504258E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68472204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02720171E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09803359E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56044183E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72967227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29675711E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.93397399E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72820379E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82428024E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37700822E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.82865401E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.52809791E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24862765E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17497255E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.37438987E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54706631E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99927697E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14032726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.48690963E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.62270352E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99926928E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10444484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.77357405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31726720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80473748E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84419500E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.33346920E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29458270E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.95809300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.04638440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24509010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.31702510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.59951250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47483460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.65710450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.99535370E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.28785300E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.65148020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.14433230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.79265480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.13466970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.28683850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.77137660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.89681950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "55": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56993653E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01329763E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89490825E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62818427E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09176973E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78066202E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18788502E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03644245E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06504519E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54283605E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30750958E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.87051031E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68664105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01751573E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12364489E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.36761841E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68554501E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21358153E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47666159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.79743498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11112535E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69439838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20416984E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36050968E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47558947E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35510643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44998085E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14952350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26264554E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35447353E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59597528E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01632698E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14255913E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79936092E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02464378E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72632246E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55162290E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59845667E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72484823E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00206142E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88343271E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90482495E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.68756552E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52821479E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02608753E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45271353E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05102520E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.93565201E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01843599E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62227958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40740221E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72421037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28742650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37858349E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34356420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.61555768E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26052399E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34967096E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28568380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.71272513E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44562252E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76153140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81000899E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55718128E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35152640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33829068E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29297222E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99798311E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.49098284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60745579E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07862419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.97551909E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47545482E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29685204E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.05580384E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94211916E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23268877E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28064163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.34054186E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.14647563E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30931791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26088236E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.17315850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62108299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64734010E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47572050E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.97689520E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.49936610E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35699390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.51514060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.94822330E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09443300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.07128050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.66355340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.72859538E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.62726953E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.37353060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.63788426E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.38699790E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.94595090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.26067140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.17128510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.33913650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.26417444E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.37204190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.95831690E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.23798120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "56": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37388272E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94803054E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56010377E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43108156E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70052389E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05477165E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76574757E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96159014E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70714970E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77608678E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72900250E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39649085E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27436474E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21306588E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68408586E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79284833E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20232947E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30598997E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.55478998E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02855058E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77113332E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14399177E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32899589E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11487611E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92386061E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86621500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66009593E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.82460306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31575024E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97097994E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62744353E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28253466E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96451982E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20441521E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21986203E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76392045E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28775538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18716361E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.49360489E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12063562E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50723715E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85188035E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15717007E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99845658E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28785472E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10212147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54593889E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89299348E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55226694E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.52515843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76061379E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69877687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55613760E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.00000632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07854833E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80450113E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53992176E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.24328218E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32584646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29937224E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22668999E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.69637262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48021633E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83032925E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.52782065E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41452622E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.45103332E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92184426E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20459007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.54334768E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75208829E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43921158E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.81527999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.36160528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46941403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41722578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.14661766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.63030042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59880677E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43361915E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.25638725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16190815E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.49088560E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.91892247E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.11282620E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.66713110E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42031880E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.16273080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.25893050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28760940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.57563270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86323070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.82214488E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.25376961E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65965840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00671117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.48871030E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.25159430E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.38183930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.56025770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.55101100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.24537575E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.82686890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17713152E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.17243570E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.58858340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "57": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.38998857E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96337221E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69226432E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52858527E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03669288E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46501664E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00209131E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26181441E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.41086387E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15749900E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08180498E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54969995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90906580E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55667052E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.49798892E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72637459E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66980574E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52062663E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86817927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23988840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11948997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85595235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14550755E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01390252E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12738849E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56414745E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56261767E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93692194E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18124443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96051752E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64867359E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86312821E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14856828E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74651440E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44326981E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99140653E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99361983E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40264729E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.21679433E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37257608E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.41080675E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19366673E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29572257E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60107616E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56542966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23556397E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.20986970E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23315199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73029213E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.47082207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24982096E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93706244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68396031E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.86038858E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.77201935E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27278492E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84266012E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.98818466E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30213175E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77886313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38263156E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.77445541E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.47548548E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29364576E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15164161E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50637213E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.28548296E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19339751E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.08358071E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19170211E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08148438E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08577104E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.87678673E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25061397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82613230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03591357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84883098E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.24036936E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.77272797E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.36617435E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54881153E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.12725709E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.54659531E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.04169007E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.25661640E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.78503260E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47256380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.71315790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.58242520E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50708860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.10166440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07184520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.82810270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.80877920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.93167970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.21761470E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.57755720E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.59719750E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.56404280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.50570950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.96060720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.77154760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.56054600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.84954380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.30103160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.89164900E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.38957510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.94917330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.69562370E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.28899900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "58": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36868185E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95900903E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70068067E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54724043E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05309344E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.57815641E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07368775E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.68976906E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65975834E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30004393E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16185700E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98665538E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.14070504E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67647333E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.10379081E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02540278E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81331473E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58051043E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.17080263E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43988557E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30158693E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03434264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29082642E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.98930370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60448998E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79405101E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66457474E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65597449E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44724607E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08431279E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70919037E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.59556248E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03406805E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68781766E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42080462E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03451889E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.14331933E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45157889E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38230725E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43089256E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62586138E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27677882E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32933794E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.74489802E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63063987E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26646214E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.36139642E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.31016624E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77108392E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69600260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37659387E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00047149E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70964981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.88498625E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73120516E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.25595868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85207285E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03078897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60803363E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05995015E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66232136E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.30267972E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25364729E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18724141E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11596274E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64871185E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.62375551E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30533666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.52790198E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.39008042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17757460E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13502026E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.14004489E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39512170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90734950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08185308E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.10664823E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38363550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84969963E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.75632902E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.71433689E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19209937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.78343617E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11833012E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.40392430E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.43946028E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53682830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.57885750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.14016896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.57090371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.17887529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.31368967E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26695424E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17381242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.88960333E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.81095571E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21082583E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.21566095E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.68946760E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.89657770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.62449970E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.43139080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.42945410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.79989840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.83737340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.58026030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.52559460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.31866190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.54283050E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.26586090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.56641920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "59": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34237376E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95070878E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66243340E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52644534E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04073394E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50451921E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03049471E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.44061102E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51254342E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21035072E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10776516E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.67414898E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96818262E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58416059E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61660344E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76907502E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68183804E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53413922E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.08613195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59691340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56726059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20633200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37641837E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29065480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72027772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77607813E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61214984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.43364986E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25421374E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04936191E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79044003E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25192739E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93171359E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59420940E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35606014E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11413775E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.40107010E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53206883E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65143605E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52656957E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.98505473E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41662066E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38538038E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97753984E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73171696E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31281230E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58510996E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42217201E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82845797E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99479071E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53278149E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07977502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75112210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00843199E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81367347E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29179925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85636091E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01545002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48045604E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97555707E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61618968E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.17214154E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19914992E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14605102E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08640149E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79003126E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.95860546E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41569058E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.96450214E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.58454304E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27159257E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18315010E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.39707830E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.53599687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98640816E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12637048E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.35436267E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.52011148E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92217780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01185299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.86332688E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24781188E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97390282E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17392956E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.56125390E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.14879966E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43097544E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.10938223E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.89505833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43798055E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.41751406E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.84976925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97998213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.95089377E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.80748040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19380746E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.98445127E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67946441E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.82306840E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.22136980E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.75357040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.40820940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.75920550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.90536520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.07090540E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.57982810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.70933860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.16524230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.51223410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.12586110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.65616830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.40083250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "60": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.32552605E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94762794E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66516819E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53661350E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05114127E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58321373E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08259965E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.75797810E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69781660E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31686265E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16972425E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04295803E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19093371E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71844867E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41883992E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24449117E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95897692E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67501422E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.76126955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80264698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52347848E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17563009E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37856255E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51600496E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98440108E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99995407E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77350541E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01613756E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80249088E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35593337E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91722193E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.38658659E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06871809E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67221328E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39508587E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22553650E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78209036E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65695640E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07216275E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67485879E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53203851E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62783143E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47081593E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33940050E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89224478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38727169E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94507705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.60317157E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92281765E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05031483E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81379441E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23874055E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84432287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06396986E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13666342E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47823917E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96649594E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08319115E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87327768E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19442159E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73429214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.60164451E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40832853E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23938536E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12626484E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93791058E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.30877556E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53091903E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04193278E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78663762E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36905481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23290769E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.66212230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68098093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06760181E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17195981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.60667362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.65796158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99466133E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04764266E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00722250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29960232E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01400143E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21675825E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.71818230E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.48298833E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54618043E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.60329020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.13510498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56096515E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.07275763E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.20357707E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16881577E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09345695E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.29810629E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.42477882E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.95865961E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.09005970E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.92858810E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.56058320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.88673950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.17466210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.04562670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.92587790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.36162650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.46121260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.96430470E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.00968540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.82116300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.89755700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.04447430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.91422800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "61": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.25116734E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92946457E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.61473507E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52562496E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05254340E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.62430770E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12071416E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00344239E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87889951E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42826607E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23459899E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.39985385E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37824658E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81447349E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91112966E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49982960E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09291967E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74582101E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01101170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93971517E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53787453E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18567492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37981826E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58169193E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.97850715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03665383E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82254418E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06338128E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08008948E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48565096E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95975330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.66329599E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14060283E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69972186E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40836999E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33873907E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02053008E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80063625E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.57293850E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85648505E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02187449E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89785050E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58126619E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81179256E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10440264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48729236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43781359E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85511700E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05528804E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12144350E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.20233790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45443859E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96542130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13345092E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53271876E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68387540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06611424E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12293883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00997960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21981275E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72132480E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.39444299E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27623775E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18164022E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10594813E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08637092E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.65925533E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64579055E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08711888E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.98683830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46534045E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28193813E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.92260020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.82303456E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14696020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21633059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.85058484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.79029024E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06355057E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08121323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.13838019E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34453985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02724168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.24487713E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.88226810E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.80038834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65525830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.07051927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.36148720E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67686574E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.68870166E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.53458221E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.34434986E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18413223E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.74583340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.63283700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08238255E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.44977030E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.03932900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.90696990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.02291150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.93735160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.32463160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.08958520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.16389600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60845350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.21834650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.63025670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.03632340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.93459830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.44271110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.37859210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "62": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05536187E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87603148E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.42256438E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44711702E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01766682E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46524826E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04563799E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.66343093E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.68660508E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32533809E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17875732E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09634716E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21350120E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72538153E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.43431453E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24825070E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96364907E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69076987E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89715104E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91322186E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62699022E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31918993E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48718039E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23230903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39610758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23968118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90524125E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06606175E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97310199E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36233828E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88705549E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01254146E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25424265E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75412170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43604621E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36637174E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04223286E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88708650E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89839363E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98000244E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06997695E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09091668E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66132492E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15643670E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.25914403E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55982846E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79183240E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03423456E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18472255E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21147934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57561055E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51951704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93021852E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07958144E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.19329214E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52142573E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00981206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12379052E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10174933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30377701E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77458165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.53613005E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34448338E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21316161E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12048940E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23579643E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.01017627E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76023877E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13193863E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18471476E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56029751E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33027914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.17976966E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.96355652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22559921E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26024684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.09060400E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.91964018E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13028847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11334477E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.26100692E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38474225E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03806204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.26186142E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.05322220E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.10544482E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75974771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.51762863E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.57757637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78743796E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.27538217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.84868686E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.51003933E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26909055E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.16148904E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.82363262E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16055907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.77008711E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.15468810E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.26074960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.16205020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.07127860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.60112830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.18363810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.54268800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.64647920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.47333760E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.27481170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.26241820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.97858270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.81035040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.80452840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "63": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.04536945E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87528879E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.43286128E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45907747E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02755002E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53295555E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08987292E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94257425E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85778849E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42770950E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23896937E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44527907E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41295977E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83805768E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00640967E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59648351E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15275422E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77946286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03013588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05807823E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63437435E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33566135E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51616354E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49855296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50783739E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32632050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98310527E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17132679E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.50880725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62759006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97536093E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14167354E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60525952E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88642771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48548334E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46748163E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07847377E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00902630E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.32254014E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13386338E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12804738E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31824460E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75379992E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.54874641E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43337722E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64093020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.18618601E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23336121E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25240352E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22687963E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.77775824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77230672E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14419617E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23452175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10093835E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00977614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25343784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23142717E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61400299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54173004E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88096940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96649542E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56286690E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31558825E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16525673E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38773408E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.36884842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87744548E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17791141E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.38810227E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65801461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37993170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.44246146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10604738E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30476188E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30414502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.32856079E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.04667799E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19509953E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14409299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37522081E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42019200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04645040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.26793481E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.23020090E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.40487047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86209096E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.95536905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.78882325E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89550557E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.84813991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.15439118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67051797E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35078341E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.55724650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00279486E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.23267685E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.06025983E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.27413410E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.62204680E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.30421450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.13609610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.86901990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.28127440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.34114210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.52408660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.73099430E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.38091460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.26252320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.05083250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.10756950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.15485550E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "64": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.92315982E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84301466E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32340646E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41829105E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01143572E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46835276E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06587244E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.87578144E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85644345E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44249634E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25253764E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53763176E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47104795E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87355408E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02736062E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71513274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21848881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82064831E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05292556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.16445856E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64882224E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31195027E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50428823E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.68288785E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76688763E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53518591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11497146E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21629687E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.94260763E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93600985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18819862E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24892422E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32497369E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26864846E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67813888E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57729429E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12679127E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18411949E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.95659119E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36900234E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21817400E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67582504E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90080493E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.17768103E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71454021E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77228306E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82546121E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55643108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42103457E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31729952E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.27502198E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05293617E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30774027E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33577500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.75309156E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39829275E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48592583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36514367E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40835737E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99645118E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13185721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00634421E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.03850539E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51417145E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24784606E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.53772963E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.72155032E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99209543E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22263907E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.58478339E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75193370E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42750766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.69439759E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.24306235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38108249E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34639066E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.55589688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.16724535E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25600303E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17253939E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.47735370E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44956463E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05201091E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.26223887E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.41881400E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.44037974E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21828475E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.48497702E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.53985008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.28729579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19804639E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.35729363E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.35147098E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73452365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.66763160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.10707563E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.74962001E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.45340593E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.39289120E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.99325320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.45056030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.23566930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.24876380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.42713530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.99425110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.39818590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.08574070E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.95056770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.45644050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.00971440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.10142760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.52706910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "9.02198450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "65": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90517361E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83782720E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30356496E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40983433E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00811470E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45868180E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06407921E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86816119E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84763647E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43611218E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25007048E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.54012394E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48563431E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89072961E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04279524E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83907145E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31294551E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89050169E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10425750E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53739040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91851981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46934552E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57577045E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.92590670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86466774E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57135184E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13096632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21748538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.92460774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92365368E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18978012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15847338E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91066123E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03635995E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55383871E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60304982E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13731035E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22104631E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00887796E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41824340E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23721392E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.75223547E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93243952E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31217218E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77354529E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79920630E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95386443E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.62011161E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45364832E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33447116E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.36454988E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09935137E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33395730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34665638E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.75926508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.37996584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45202522E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32665534E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.05515140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73464734E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96868678E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.31637883E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67582851E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34780595E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17552688E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68918925E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.07518415E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.10664326E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26726075E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.78102022E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84567162E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47496398E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.94518037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.37907357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45665959E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38807775E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.77870375E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28433732E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31434320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19921016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56975931E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47395592E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05523627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.24671803E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.61285030E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.98586582E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.05983842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.79967030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19499231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.10291182E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09440811E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.73586018E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.97329923E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50324867E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.28580045E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.32651337E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35974023E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.55805216E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.52459730E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.36775250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.59756450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.28899850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.41968320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.46645000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.87717310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.38905860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.25545780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.60432820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.67913920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.01969180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.15891820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.88157910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.62920230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "66": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79156344E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80830628E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20729665E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37633910E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96428607E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.41939164E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05208457E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.83904612E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84553838E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44004054E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25416819E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56796742E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49996422E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89671893E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04558053E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86046571E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33395956E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91651704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12674951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73674525E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10669032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63734333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69204503E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05595498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.24365524E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74291839E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20091324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27628771E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08442038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94218338E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14205077E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18507119E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86714187E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01294814E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54914836E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64276508E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16096411E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.31386476E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04405645E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55317361E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29032914E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96717389E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02184689E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.69586711E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94447278E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87856908E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.33806064E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81351553E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55434830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38841253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65956444E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26676877E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43432485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41047249E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19294769E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67183831E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65089333E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46617030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.92570590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22748401E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22586055E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03917997E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22833837E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57342760E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25649835E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84394496E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.43723536E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22352098E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31250665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.97874750E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93968352E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52242700E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.19560064E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51472391E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53188947E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42940139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.99791185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.39857745E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37066033E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22452173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.65506097E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49466436E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05666018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22317784E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.80406220E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.27472612E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15783292E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.21753216E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.39558189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20522253E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14835650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.02075974E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.12064364E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.57671245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.63207794E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.47733920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41724560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.77621267E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.65521940E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.75232040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.74879790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.36919950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.69687010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.55651340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.71396690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.36157860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.52380950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.34572420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.95329110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.23509290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.20837870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.26361080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.86128190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "67": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77667669E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80417457E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.19346871E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37114298E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94389960E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.41111709E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04904478E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.83106717E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84723288E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44471063E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25881040E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60589949E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52891871E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91678466E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05740307E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91761800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35647914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92348594E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12751772E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73148076E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13959016E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65232849E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70805648E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06737497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.33499109E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80623627E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25644549E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30620736E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33550842E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10950932E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25617160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26872794E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23967928E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17633046E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61475504E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74357640E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19970801E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44997447E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09275640E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73275443E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35876130E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23684928E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13201122E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.16429435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.15266585E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97533734E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.80667746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.04872569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67597163E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45290707E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.00877809E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45961037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54562820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47754008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.61048627E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.92323268E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79859617E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54962570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.34878107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42810394E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31993431E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08372878E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42933187E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65293734E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28595100E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.99763530E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.79435069E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.33811694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35670492E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.17156124E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03127544E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56867474E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.43984450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.64723434E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60550882E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46981630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21117254E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.50888097E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42430074E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24798231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72993772E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50994765E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05553998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.18919638E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.00961660E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.56026239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25446002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.62906778E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.59277552E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.30565651E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20119357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.29864146E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.26357266E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64745369E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.96231747E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.61921346E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47022707E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.97247898E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.78941010E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.01448260E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.90307820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.44860400E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.98053420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.65040200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.55076070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.33409850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.79612400E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.96413000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.16239010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.36025860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.25783920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.64895580E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "7.06497620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "68": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71333399E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78727898E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13278949E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34617116E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.83294629E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36222624E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02895613E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.75867439E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82679523E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44218587E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26120100E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.63796016E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55884554E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94184093E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07654205E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05032053E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44044807E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97389226E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15601036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88640453E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22383816E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76252611E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81357452E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14300008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79672675E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06093426E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38581602E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38266907E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.69437675E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28487416E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33713436E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24021370E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20252734E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16175868E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61198991E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.80402206E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22811143E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55607848E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13224383E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88180607E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41624213E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46729655E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22872274E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.58462733E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34145245E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06346286E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02349226E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.26436785E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78759456E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51197897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.32705602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63017549E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63564996E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52112445E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.77729873E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96835125E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78887215E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51628103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08246530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26949317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23767636E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03260346E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17905762E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56275708E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25874316E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.14952961E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01525733E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.45400322E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40148846E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.36669695E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12366086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61506529E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.68297732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.77802760E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67759678E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50904579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.41560034E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61280578E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47341038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26835508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.79009472E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51858403E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05162833E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.14468588E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.22361040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.84469170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.35049384E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00376138E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.78825739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40513001E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25344462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.57257076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.40380405E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71637775E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.28093845E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.75412566E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51946816E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.14998987E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.92714240E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.05452120E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.06046100E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.53152010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.27543240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.74793530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.58546840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.34372820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.07268420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.06317780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.39462650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.49507450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.29796650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "7.06079340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "7.26972430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "69": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70268559E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78535711E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13380210E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35183979E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89706032E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.41674498E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07103651E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00571828E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02647708E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56939731E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33947661E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10351702E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82664788E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09344506E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16403679E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57966386E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77482060E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18508371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28709286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66657488E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.63660232E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88677194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82286498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13947624E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74021482E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08820362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45243453E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46840903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22946134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60876483E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52456488E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19540777E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28761709E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22867634E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64634571E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.88822866E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26201092E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67800810E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17663663E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04973888E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48249634E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73548641E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33932526E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00551778E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54995394E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15975365E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06976160E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49542067E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.90717975E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57582711E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.67588491E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82294267E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74294977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57994999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07906447E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11798457E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85751694E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54301864E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19016955E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31025329E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25079425E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04555333E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23793761E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59320950E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27308118E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30228369E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05072905E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.56774243E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44537542E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.55806795E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.21431393E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66061396E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.92180411E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.90650758E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74831324E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54736240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.61348894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.71233636E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51965801E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28680322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84090920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52279591E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04574086E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09211249E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.44486740E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.12792324E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.44592217E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04431934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.98203710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50362429E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30507736E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.84225811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.54117108E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78342530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.58791331E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.88223973E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56512512E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.30980258E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.06840680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.09537100E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.22096750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.61158640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.55717170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.83926940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.03142790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.43112230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.35366340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.12566040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.60686090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.61190130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.35933040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "7.44284520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "7.45324610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "70": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.59734263E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75730416E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03686290E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31486156E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.74980009E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35723420E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04701994E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96542497E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99833159E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56634846E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34406993E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.15989286E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87535563E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13070575E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18989030E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74297692E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87242143E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24813973E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33621614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12811580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09398029E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22805262E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03946846E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25032437E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28744564E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32100011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52340515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41752404E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91574003E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.41984989E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43453707E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18784126E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17391392E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19226839E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64204955E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.91789211E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28380863E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76888450E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21236375E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19038497E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53895281E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.96788855E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43755729E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04821781E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74162682E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24896525E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11287885E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71147913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01896166E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63528402E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99890036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99948607E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83902754E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62940396E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.29736014E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.20744639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88885412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55272712E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27489135E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40336463E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33462795E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12690386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60052050E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73229184E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32117925E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45144166E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08521940E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67769543E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48746557E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.74028751E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30013118E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70355941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.14634240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.02710174E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81464464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58313543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.79574653E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.80219900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55974288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30121566E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.87266128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51861485E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03644487E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02739367E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.67507180E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.41088057E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54100266E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08466987E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.17449557E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.60131208E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35617366E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.10812219E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67586957E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84867432E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.88346999E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00359296E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60718765E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.45183506E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.21319590E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.13702860E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.38459180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69299790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.84305730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.93167410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.66918250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.51293630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.63918220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.20158600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.89458590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.80805950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.35228250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "7.82630300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "7.65242530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "71": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.58240610E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75274031E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01674725E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30410503E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.68572979E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32074584E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02816657E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.87299130E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95080292E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54106797E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33234759E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.12384377E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87733611E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14384071E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20274329E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84344333E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94969405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31636937E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38755593E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.44554175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22484320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43645787E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20415795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36476689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.93798738E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73244353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76689840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59019676E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85949012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90505101E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62545571E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43590634E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22453400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72379732E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90911864E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.03530670E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33179260E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94405088E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27715669E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43639021E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63510537E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35512016E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59839925E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11727675E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.04936099E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39171512E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18176926E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.05643244E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19732741E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73006946E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.51565436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29172110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01282782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74023426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00408312E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.67729657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17890554E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71948078E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.15400541E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82832696E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51856845E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17813906E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78490000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83242422E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38007911E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59464491E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11842850E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78360075E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52801631E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.91594315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38284380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74492341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.36219318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.14265838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87788329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61691400E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.96465853E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.88322780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59392709E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31155833E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.88639155E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50729124E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02442299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95289346E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.94276390E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.59088469E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.94223289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25623137E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.01328014E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.03853914E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59487315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.45609087E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.43879578E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27757975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12391550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.23617060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18078013E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.08259551E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.57755720E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.29790870E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17645770E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.55728590E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.86328560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.53462030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.22348060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.41297140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.42997060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29027310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.89164900E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.24164050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.31505180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.34767690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.70314660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.41329870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.28899900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "8.58031690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.12553910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "72": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47809345E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72387455E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90491011E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25008893E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36173721E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10749588E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88326839E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91518258E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33765821E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15894817E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09739637E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69128016E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01085242E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62508910E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.95394994E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03983348E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90355038E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76319954E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12705251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18883517E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39231468E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72421836E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65056631E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.79694344E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69264784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27580439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78898180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01760706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.67979390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11903444E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59324148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07156157E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10779184E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08357474E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.19230290E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40403882E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21351654E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37737586E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81947646E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78593200E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96407595E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85210241E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22687891E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54127387E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62120707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29276419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61143479E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48338321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88145714E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03397689E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.74666123E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26124974E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87750408E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07620094E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04306766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36610190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81112325E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.67234667E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13140394E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69983288E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28013256E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24296454E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02888266E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46073835E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79329752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16328145E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92472058E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58204057E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.14975718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49239894E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79913097E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.64155853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.29088237E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.95881231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66084828E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.19428978E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00225446E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65284811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33960174E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.29085454E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81969971E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20542597E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.83547295E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.19002590E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.86053493E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37090970E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43925960E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.90049941E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.49717598E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83671102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.71187019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.01334924E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.45394274E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08768445E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.07579089E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49703590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.49860520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.50859140E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.22255280E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.72242480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.03269340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.22415720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.51513870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.44370940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.28700547E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.60992645E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.21975600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.39483890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.43052400E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.81134830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.28482405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.97935540E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "9.35318250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "73": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46385144E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71916595E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88214532E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23869723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31099859E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08823719E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87647550E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.88730822E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32192700E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14669285E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08634210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59608167E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93735610E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57266245E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58892974E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78700858E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75744481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69644659E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12619616E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23711811E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23258981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65784338E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62117991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.74288796E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69276856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29667556E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91103368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12477953E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.36222297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62301733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66672325E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67249502E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43398765E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24035067E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24198487E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42853500E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31271182E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41630092E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97328186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84880539E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23019947E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96640239E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27643852E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76082521E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72231461E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34165997E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.85970856E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61453081E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95273960E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07353356E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97242734E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39134522E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95292677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12013657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29264213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51302307E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90272035E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02035646E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42902096E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84977375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34193668E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50965584E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16364891E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52903935E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.04097355E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22218895E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11633386E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65598548E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.47180486E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64595958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87729409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00594304E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52136661E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08857660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73431087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.60733626E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.23559956E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78559585E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41349213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.79755650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12990645E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37174441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.62470701E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.44752600E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08692115E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.70925027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.58358121E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.59840923E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.86126124E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03372624E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08120567E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.62620014E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.78973557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26379058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.91405599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84086491E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.89610290E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.69842780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.26609170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.89456170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.20235480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.91606910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.80884600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.65976290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.80763241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.20686438E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.04856900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.72699640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.54760730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.28350230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.40580214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.42152260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.01408740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "74": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41372745E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70676239E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84546864E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22740488E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.27359438E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07264037E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86767317E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.82681628E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28122025E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12317815E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07506464E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55006857E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92012927E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56557310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.54939856E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75289223E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68978522E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58942199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02971268E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22766505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49945109E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84325700E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73749870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03301075E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09437248E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55925540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99918320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13334515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32945379E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48000102E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87397350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.54574252E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84357289E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42804035E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.36094395E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48550092E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53588143E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50330664E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.31806678E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98791315E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80229694E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20804960E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38191825E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23715198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94450834E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44864168E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.39150629E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88724659E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09666977E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15188986E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.40547159E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63032231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08852715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19652423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.71375076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75569321E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04595084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10245970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.86443306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06579908E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44142573E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.95323016E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35333840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60492793E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39800429E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30823775E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.39464363E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76270432E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.93400108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86547755E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98863476E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06528812E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84792814E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.27170244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83830156E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01996550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.57171057E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97842224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52348741E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.44648139E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48699293E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55118230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.43635589E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.71341160E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17940585E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.01800933E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71509473E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.23259468E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19197084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21283215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18143991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.18853456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.10192825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43032657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.71994826E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17567918E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.27556430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.88285070E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.31040880E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.06959380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.37296360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.61303640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.10576520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.86903850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.12478072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.78962199E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.27680310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.05463460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.66630280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.76386000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.49610921E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.86251730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.09425370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "75": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.36028633E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69211166E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79327757E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20737476E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.20435100E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05824118E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87351426E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93106918E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.37354538E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18809597E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11506835E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77793793E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04619328E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63713392E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98616139E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04532193E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91618915E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76953239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13500017E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36620560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53947054E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85766052E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75707275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05101493E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29680708E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72339577E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12304797E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22985635E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02834389E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95258204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17361976E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08733440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42192519E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67534923E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41608341E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51650488E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66703689E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55673075E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53393319E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07656365E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.17799481E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37127418E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45426248E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56633903E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09936984E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52415919E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77307182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.08612842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20290354E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21001493E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.72941507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81465845E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19739060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26146579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.08485729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.96333850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14367013E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15270703E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09972800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16651397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48380126E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10460759E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41791145E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63550016E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.67987485E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37097742E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59177346E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83826808E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.26235074E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02044098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06608074E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10587964E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.06958938E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39771620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91156011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06284268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.82476449E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12815585E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60956285E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.95620267E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77174881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69925644E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.13823879E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.99076640E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26645950E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.30750569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83817495E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.82477403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.50048506E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38007411E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27521957E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.71793682E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.39925180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59124925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.51106107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50791806E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.65995110E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.06461640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.35560950E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.24784870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.54501420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.31698180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.40667270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.07666900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.26591377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.37831711E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.51429430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.38378080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.78667990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.25253690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.57890715E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.31298180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.17581590E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "76": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.27221999E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66918880E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72028139E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18342021E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.12792117E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03641184E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87019000E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94551068E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38721066E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19182328E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11269124E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73701674E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01018953E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61221528E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84025233E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.97706971E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93011588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80415734E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15357738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.43265447E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81778922E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03255045E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86035003E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09877735E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56572971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89953178E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44984519E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30878036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.40867357E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17178130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15456465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08932993E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46445718E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70881936E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47024335E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55228728E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82071374E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61938280E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78839793E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18115205E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.61533413E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55822037E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53629973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93716264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27286781E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60842588E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19755048E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30712374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32132520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27531059E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09979172E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02761184E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32410972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33734912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53268971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.24122122E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33040187E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26404455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.73081100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50163385E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62500690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.71098627E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65801683E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72360098E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.10242833E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46926789E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.90513356E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95790443E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77879164E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.26431108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18872062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17055316E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.42192924E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59379388E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02250844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12610713E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.18544867E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.33714042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73046948E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.63411397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12974288E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87542667E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.92561923E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.27821340E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35104342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.58767055E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95701547E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.39517199E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.79708637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54080586E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36539352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.22901991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.68872492E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.74958291E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.29919873E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84174741E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10635820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.24738930E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.40169370E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.42940670E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.71884280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.00292440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.71210050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.28520820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.40679822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.98556465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.76683870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.71698060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.90885060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.74984130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.06674087E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.78043260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.25880120E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "77": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26324567E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66683769E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70970969E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17734405E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09232390E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01717475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86246452E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94300936E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42430397E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24226154E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16155634E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13922679E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30775905E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81655419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01771939E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82774569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42589179E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08435403E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28971512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91277281E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61308928E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89620756E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84193836E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23195095E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26388789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25954637E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31315045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38631942E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.06184291E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66607005E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24109504E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16296220E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87342643E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90020584E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60878134E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61538923E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06771092E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71643431E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.17777869E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34059553E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.28003447E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84183296E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66143717E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50847642E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54133412E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73826058E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.84520694E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64035134E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49746302E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37100676E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.63264364E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32857641E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50170900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44179023E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.12489271E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59044682E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53894005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38832173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43806471E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88242182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77307459E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31780465E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88964320E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80726598E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46118937E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55205596E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.16732275E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05743489E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.20671223E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46581658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29002690E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22411109E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.71542035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75891436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11692410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18042585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.50058337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.52305319E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83944376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.24892165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45735151E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03904087E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.67050347E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.57657980E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43371089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.86065441E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07263528E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.94967757E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.08543122E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.69732644E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45335419E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.72925038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.97383438E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90676971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.09003268E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.17906800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24925000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.43127670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.44867140E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.61431580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.89474850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.07509810E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.02248550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.49565040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.54836379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.61895199E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.03909580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.00553520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.03289540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.25602140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.17632329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.26883150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.34324500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "78": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23780991E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66101170E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69657852E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17560236E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09700186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02379219E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86860485E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98367864E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44127471E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24417803E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15809653E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.10199490E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28110684E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79879434E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00553543E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73943870E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35558927E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03441597E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26916346E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.93599935E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78037111E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97800051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82718019E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12496267E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95014290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.29354941E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56031568E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50060613E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.52083862E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65934749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28350455E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14291920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73908361E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86374375E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68475118E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65556990E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23595720E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78396405E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44821160E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45142111E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74756010E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04321956E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74914029E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89919404E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72285116E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82610784E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.28401321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86587287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61662685E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43583570E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99058471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.52340492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61019088E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50335031E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46913428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78451346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64002033E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43799995E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66201942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.97343035E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81310349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46979423E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95778151E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83812888E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.87829029E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64862299E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.47337733E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17369284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.70621535E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.70040554E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40735433E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28568499E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.05027244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94584677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22332444E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24157851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.85338484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.72968164E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95978613E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.91592559E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.80676651E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21093312E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.44133195E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.88719600E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51528666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.12934398E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18629243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04943932E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.36856800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.85118211E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53994937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.22346785E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.25721035E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.06404203E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.88825356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52154887E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39524670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.61769730E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.49655200E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.80265510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.07293870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.14830210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.33814090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.70940250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69216767E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.29269249E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.34007410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.03994440E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.15890260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.77135820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.28755725E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.78806100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.42918360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "79": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20910315E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65310196E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.66662267E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16256884E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04288317E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.00471076E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86130196E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94010272E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.41168672E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22578678E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14666921E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02327271E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22502302E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76235066E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86388945E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69800040E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47439123E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18594432E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37253267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48620636E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.20683077E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29620450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05642268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23541844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56412170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.57399250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73964897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54586970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59898841E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58261513E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43087444E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21525733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08933079E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01852957E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75534848E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69124856E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37780684E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83968730E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.67012592E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54151575E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01221988E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20347350E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81966463E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.21744870E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.87039155E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89715089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.64237207E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.05420647E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71861289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49244771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31404628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71314825E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72291155E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56759018E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82986883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99104006E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75797960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50215220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.00999703E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16158973E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88571055E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.75551178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06338978E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87552747E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.30851950E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74834650E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.79121925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29550786E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02343767E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.95064363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53367053E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35256912E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.41664376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15100111E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34029736E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30901241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.24363075E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95914719E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09371900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06558558E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.19289443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39938364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02711578E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.21016780E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59845287E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.40236705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.30150329E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10448257E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.65359194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00551195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62652422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.71693770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.54074873E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.22208092E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.69655156E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.87002646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54458060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.80725800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.54533760E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.99440460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.25362840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.22261820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.65934380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.92701880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.83876516E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.02107371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.68090110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.07494640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.28692540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.29603130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.40044975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.34742620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.51665360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "80": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12672810E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63104578E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58888816E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13220619E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91576913E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94709159E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83403429E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.81695052E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36078259E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20557049E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13787944E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97929745E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20390326E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75583349E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.87771001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72914904E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45983627E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17661124E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38150167E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.60976047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17642828E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27058931E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05006734E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28231540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.94453938E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84298883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82567595E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64823182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.33379270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14392666E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72750013E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36139890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70072469E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25310648E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.77648167E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71497444E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49387110E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89096220E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89054219E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63613074E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05322443E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38376896E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90028453E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.58546381E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04292940E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98058712E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00587099E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.26819007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83167411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55388868E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65092619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89106075E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81439876E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61219915E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07431384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.14216020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85426268E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55398566E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26791395E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27275305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93685375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95217230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14865006E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91251986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.70427008E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83952175E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.07648139E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40175788E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06821536E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.15735362E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63556530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40542860E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.70184897E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31006183E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43066231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36062067E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.54288783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.13594247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19819426E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12352900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.49787443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55187128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09750380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.54561330E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78411369E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.01177648E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.56022619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22881251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.31199508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37344738E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84824523E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01483684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.53250722E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38191958E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05183783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.22555170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.69753240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.00034550E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.59499230E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.18954620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.43682920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29806040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.98621820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.15045690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.99056248E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.83253203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.08197090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.11058040E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.41708550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.83042380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.51566351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.96388350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.60567750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "81": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08317392E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61959166E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55037393E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11756903E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85467326E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92058604E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82305138E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.77620999E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.34785315E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20245614E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13803407E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98934423E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21408009E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76558875E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00041468E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92250228E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75625842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38838929E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50798681E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.39234664E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64493482E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53503788E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17395792E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34404778E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30103217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08713322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95482347E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70648845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.63840443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41182154E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99435729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57107513E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.93730699E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80210667E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15248188E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44027116E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63861053E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23254424E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26461019E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.14050137E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16087264E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.37180882E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19075911E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93342449E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.21124918E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53235797E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30024376E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20160416E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44177221E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.53191800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97402907E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11586230E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33259168E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66558425E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11668615E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20234311E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.85494228E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86846732E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13766076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14047523E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85342232E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66929975E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19941873E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30750579E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32345763E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33382249E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14858642E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02145799E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.96204457E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73370770E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.27334951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20225805E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23348598E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22883081E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.91065721E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95818357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27419197E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29102701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.29900666E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.08902776E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23435634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18977792E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.38315155E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67838812E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97031244E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46000123E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.88158140E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.35358702E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.86621332E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.34716156E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60491225E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.29421286E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.46324615E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47514941E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38528611E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.73143104E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.26020945E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26950764E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12754633E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.34585170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84851434E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.80466339E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.64325063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.38333958E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.62574299E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.37609526E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.32558967E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.18902868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.97006056E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.71719257E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.14529356E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.55057126E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.37430003E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.69419470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.70387526E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "82": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03920992E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60745089E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50560701E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09916723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.77129438E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87785537E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79897043E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.64376436E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28277909E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17378222E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12556188E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93460787E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19483673E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76553704E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00944437E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02343126E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77158135E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39375377E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50914233E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.33306502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51284790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44322020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13338228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33520758E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.66289355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38222437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99415411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87779630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14812985E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05688205E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82986806E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02009700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00757759E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76195404E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.36179420E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57385946E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27215669E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51651434E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38991546E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69167353E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40582831E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04783130E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69525107E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16748139E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03300162E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.08426049E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.58100535E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34861189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22977303E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.96091080E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21115343E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24885742E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09098696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10045433E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37014093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35190917E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72037399E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38640900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43723532E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30981319E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.79468534E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16722126E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47172940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66059717E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94523129E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47942422E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48210727E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12655416E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.36032112E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90442930E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.06947114E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59753456E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43838189E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33891512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.51614919E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.29820864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46927739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40562657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96399991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47266844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45146086E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29817645E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.64854429E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02082119E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14895975E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.54398069E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.24230359E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09185623E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.01386845E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98309666E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43055149E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.36521457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.94695785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17364859E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20272063E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.62387444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.57433130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83923557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.42424682E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.12384386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51904517E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.89058052E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69593032E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.58834618E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.81737315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.45535528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.67217822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.38274156E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.00850553E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.72401449E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.18223594E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.68607152E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.93342688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.87148711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.79695060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "83": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03279728E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60594003E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50023107E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09659438E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76143654E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87757098E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80294416E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.68441494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30762118E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18429093E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12934090E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95072040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20148524E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76415906E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00160154E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95642414E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96720913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58455735E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60682868E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.84446368E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01460101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79343442E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39126451E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52760043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.20872979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55740309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20235441E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91807846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17319772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.44630190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71155204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39027432E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18864596E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60259186E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.25482293E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51279614E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99433630E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39784722E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34061524E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48671180E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31656758E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00691425E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.50505364E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07848216E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.90002640E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86642104E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46558862E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28558344E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87901309E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76206018E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09508372E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17949694E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66892149E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84609275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21095148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24827310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10832128E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00037196E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22846634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21256201E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.43653019E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14886756E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51587169E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16078605E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29139770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64639539E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86670798E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24589026E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79811197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08586225E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.89743601E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00615172E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65206540E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45619569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.18294249E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.68616244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.70061415E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54602704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.80349429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.98217352E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76443173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49348569E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.02887499E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47148940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46379012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00171907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.62259796E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.59714224E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.64921518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67445405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76033232E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.09822722E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.89976220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72075403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52620972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.54854988E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.73159461E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53363981E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26389863E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.47623445E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75081190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.22168855E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.74723029E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.79102808E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.01257324E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.53621306E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.02677691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.57432019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.11912515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.80941530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.22044322E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.82416360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.05044652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.04857209E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.89189626E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "84": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04328296E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60878604E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51104078E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10210157E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80329257E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91215357E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83148210E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90430630E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47126112E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30328519E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21383059E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52683277E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57601432E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99746223E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14186935E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69879961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98537556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43269855E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52179619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70210495E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28565464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91406006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39584593E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44913673E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99319907E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61426467E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49544470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17739099E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39471720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63080241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94222392E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61057660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32024835E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.27723529E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23716897E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49958826E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.91977297E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35950468E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32435645E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43008453E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29715439E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.98523381E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46402852E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05702902E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78360770E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81001475E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44518465E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28266698E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.91437607E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81515268E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14893627E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22679379E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.05253391E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12721577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40705992E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37916628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.97328043E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56696330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55222864E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39354574E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40356778E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65339944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75549207E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28366001E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82593378E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80336900E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22511021E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35633203E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.20206304E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25293395E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06543755E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37408365E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84078958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55763068E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.74759532E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00671952E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88587114E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65398832E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.42388617E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.34235897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97421678E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61452746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77324890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.06980661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90486308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19140848E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00169856E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.77665712E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.22560061E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.91651729E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.87520688E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.69525563E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.22731107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.90760873E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63559770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.19392819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.11237947E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.75460404E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38654510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.93276104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98196926E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.44914425E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.80050463E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.99979829E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.21133033E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.61864676E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.38918928E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.76538650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.22967530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.04617644E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.25924863E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.96485266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.10874091E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.22626701E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.98871797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "85": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03754266E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60756732E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50756454E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10041425E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79170008E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90456184E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82735521E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.88381781E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46161058E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29792522E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20951378E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49079727E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55248237E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98455894E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13237310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60172665E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93925893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40215313E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49006518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.40009193E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96998212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76960781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33865293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52849989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.40280959E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92922327E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87060095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21779535E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34057291E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43093309E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65310412E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93184753E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48233685E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05065044E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22514073E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49328542E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89373757E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34540998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31404445E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.36081323E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26034744E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.82867088E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40526138E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03556174E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.70312327E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77583752E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42669003E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27105258E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.84079236E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76931664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11949012E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20757492E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93043835E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05244136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35983675E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34978352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80762081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46674348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52117161E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39932798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.59663105E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90177578E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93158649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.32294020E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34091545E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90349494E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45722599E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42827574E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46622390E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36209248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11502975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.61830047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96828161E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62690283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.13512832E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.22990118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.01862670E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73527665E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.92561226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.65332164E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16600816E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73092873E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.51050663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71596180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37613991E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38924678E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04268405E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98321112E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88346447E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19004513E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00480093E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03658327E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.59179133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.11278761E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75423084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88637366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.51843951E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.99043819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51897674E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.47768462E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.31051189E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.68503359E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.85470257E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.21202373E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.41360400E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.70266029E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.75949994E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.95704168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.34070388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.39718732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.29881428E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.10817707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.16822768E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.40521040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.08741347E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "86": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84934165E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55727982E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33333278E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03305171E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50878878E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78018860E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77104887E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62907577E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35084604E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25359087E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19399016E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44611091E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54405149E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98693863E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13855932E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67235242E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98905662E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42176482E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48676183E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29569389E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01235807E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99157956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59355031E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61594539E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02237996E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.34497875E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83634273E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36047288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51919804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.79563636E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55280780E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02733349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56487403E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.54954093E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09240457E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46936254E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.86720524E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35477829E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32396748E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42092331E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29295561E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99199500E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48036474E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06909770E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.85614099E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84751958E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46120100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28839840E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93309266E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82182386E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15113062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22774645E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.07023034E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.15260238E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43122062E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39823737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.14689657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69761160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66798036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49531338E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19507828E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27930628E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14215694E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04280197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87911534E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01991605E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.72386419E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51266655E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.78445447E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49739625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17779568E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.92974342E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13099639E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71566635E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.63621636E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.51936974E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18980829E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83803620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05361722E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01789626E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38275010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85761810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02859548E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46214376E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.89531825E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60155240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08532806E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.19499697E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05625936E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.47320067E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13869326E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10574209E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.96871492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.32577946E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.87797546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06118338E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.94541468E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23924781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65912723E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.05049919E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.71497957E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.92654011E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.90986012E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.42782039E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.61948998E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.78826080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.13755056E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.15003748E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.45255810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.80566833E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.33903846E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.25410774E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.22890322E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.58582669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.18799659E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "87": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84371051E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55579549E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32804397E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03091859E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50374715E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78346398E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77878242E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71715150E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43144338E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31937946E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24426665E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80445190E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78334722E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14099476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24157665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48288736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74581374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01821968E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88385030E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16651426E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.27817685E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59110080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86915853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78061408E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06375341E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41350169E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81882595E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20757227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27918777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10988809E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81255367E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99335420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36807871E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64346524E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93503774E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80372852E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03189773E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22147330E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55079174E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.26438440E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.53690582E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40633248E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.79331856E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46076546E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07624065E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84746946E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24894912E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07494095E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29710662E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69154441E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40902363E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.58236274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18117168E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35483755E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34426216E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.73036219E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53285594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65146153E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53257454E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96446508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.20832153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96110393E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66122030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10335099E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81569142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50864374E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32930773E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.27408686E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62763803E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94357307E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06374849E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.84105995E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79786056E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.54421545E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08970031E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.91486282E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38806410E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58918637E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.98166481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21572630E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31522688E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30987202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56950813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45716053E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63739717E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54682097E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.10892022E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.32796809E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06217039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72483547E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.44442640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.10584553E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17398439E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.21833016E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59769998E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13055070E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.34078214E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10226551E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.66855413E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23464869E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15729150E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.26185896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.49925762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98336061E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12580788E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.34305699E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.48321822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.80666069E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.89910254E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.22402675E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.43923356E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.38634400E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.96606740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.64764890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.82914730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.87553420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.52393630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.34830080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.57101590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.57575128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.51580070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.37970300E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.40280940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.29083850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.77165550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.29054180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "88": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80637454E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54565391E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29025534E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01398728E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41000586E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72227002E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73398013E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.38432731E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18930089E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15030901E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13167503E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.10126100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38022357E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93752549E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16223063E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.40413801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89271964E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09255096E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90334119E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16206957E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95240013E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40167821E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78644802E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78880794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12166955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.92917128E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12676255E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41587287E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41536909E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45176626E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75433310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68840517E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44084048E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84189642E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48703242E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42385115E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29575073E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31827787E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60897690E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.52973280E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66006441E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46357061E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.06134752E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59031281E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13994974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15889275E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40030618E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14898220E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66416364E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87641684E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50369857E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07490645E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44133487E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49507777E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42139656E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16491585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78111968E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78911707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59908919E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27672688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.34249846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04270430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71987994E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.54053376E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06049878E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67964283E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42812749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.24735719E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70583929E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91076485E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.85825613E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63637719E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.44716749E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67602081E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00843141E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28453851E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98976819E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.89671892E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18688564E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.83004111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59408391E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.16976006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.36923361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.15999778E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84906374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08273662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.32060758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64577233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05532075E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13212790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.08442864E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64445375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.84867005E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.23362843E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17391870E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67450726E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20816203E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.10267058E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.43590380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25894179E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.80369927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.79815519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15428241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22496912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.92413494E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.82010169E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.99469002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.76106847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.71576329E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03726185E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.62897530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.02306110E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.87016050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.04253530E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.96448320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.91861020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.55271870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69360440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.34349907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.08871430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.21315834E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.42144110E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.55431040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.35403280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.96196300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.39506280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "89": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80202742E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54464592E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28761127E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01371899E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.42188307E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74055043E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75473091E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58233927E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36234795E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28913466E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23458536E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80679151E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83149075E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20364944E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29574793E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77677624E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77300176E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98428049E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93422674E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26166159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82752542E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94728250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04247877E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84454414E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13133537E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95616588E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30320889E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55760861E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55319182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46705394E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37078420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05913530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68320789E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05982054E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.40771912E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86954082E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51170037E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.36145030E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64143714E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.68598246E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72139029E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48658349E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.15271843E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62707875E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15439132E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21545648E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42416267E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16112578E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73784206E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92396213E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53393343E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26293088E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55974342E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57363771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47689584E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.57906880E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09138577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02362552E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77799667E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05330298E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.20047439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57509551E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04810085E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15896910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.43984762E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50646217E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89227372E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.59659756E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77352098E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34466199E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14627566E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.98250918E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14879827E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.61822482E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35029116E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.68440420E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61235542E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28362473E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.64760453E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.58359085E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99522492E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13584187E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.57797989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84732781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24776514E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30216060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.53172868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30013755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39580070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31216782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.93027968E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34512627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55270296E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.90390383E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92306482E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22387850E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.30786201E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09156676E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.61380888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20367540E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13763249E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.13094419E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.41069620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91927299E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08124309E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.02143994E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.24753991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61242614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.67144650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.73082150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50442450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.97408018E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.58390840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.85608630E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.08194680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.10096690E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.25962770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.05504360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.32112660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.76025410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.81990450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.34557120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.30652890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.11090300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.77918020E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.46164960E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.70849120E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.41846190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.15687550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.66219340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.16396320E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.50153030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "90": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73724723E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52748573E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22872178E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99114606E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32943058E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70243589E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74012709E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.53510330E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35223581E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28975647E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23651312E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.81239495E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82169755E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18765131E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28451540E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75145563E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77944108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01081039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94724811E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25764008E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.95669052E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94922388E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02157792E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82174185E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13302435E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02645064E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.31793783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57034756E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53360871E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25765905E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32736964E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07322994E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72630009E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11785467E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20522318E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32558674E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73630524E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29742320E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62224254E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.63963685E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71801387E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49147864E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.19584117E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65382541E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16949328E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29679270E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46470849E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17932939E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81121957E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95205152E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54598581E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.32716161E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59795391E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59642228E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49058230E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66446599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.14499710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05559916E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79808887E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07140428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34493733E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69133896E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13493176E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21735768E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.76095705E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69040410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98168145E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.86233748E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94992351E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45238114E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20481630E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39455866E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24815967E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90671508E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44904667E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.06469132E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77547140E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36034687E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.03084633E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78178217E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10089951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19443615E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.91673710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.05265739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37542937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38126947E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.03611544E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.62685191E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59690521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43469157E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.66579414E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78374682E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80238109E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21043655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54288527E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27388690E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.94951627E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.53212531E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.76578801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32216753E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.73229217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.57487196E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.92825954E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04209100E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.54947315E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.85462934E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36162382E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.09628582E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.52838789E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.13210536E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.04047100E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.17017770E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.14073240E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.33044400E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.48042940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.14723650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.73159940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.97082170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.94839610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.09472840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.62200630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.25405870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.21406810E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.50643440E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.86539440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.48410360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.35510090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.71754750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.09950300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.77580970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.32767400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.60992780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.35140460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.62728590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "91": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76158725E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53376612E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24781875E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99659729E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33932674E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69703802E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72969669E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.42486966E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25391798E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21195848E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18273059E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.50202634E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68603205E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15788556E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29608721E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.87315982E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78704804E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96304473E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87576025E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20138024E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30618039E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76550579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05573643E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91087678E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19218209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31977513E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47952407E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69239292E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64134671E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01978973E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03206741E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56344810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04928560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23714601E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32955808E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28544757E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68552588E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.94733578E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01695102E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15365272E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60098496E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90178117E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.10996806E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55348739E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59723559E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.35596377E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.46912256E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67554409E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29096162E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20745001E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19330201E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17490990E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.45420979E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62800388E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07772109E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20530900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.07310575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18718417E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45770072E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42143256E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29718885E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76115924E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69308792E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50791045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.15322989E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30546117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24905339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11195201E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42387790E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59785145E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23985420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.19651793E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19938289E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75753279E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39586899E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84198543E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67510022E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31448346E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82269900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69180076E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06543683E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18217468E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88775753E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.05223917E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38180756E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39052506E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.11438825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.68463507E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63649114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45360535E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.69925687E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69936255E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70752909E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.55098043E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17634514E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32231590E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95673923E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.55309391E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.77344387E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32519823E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.74256283E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.57732737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.92639716E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03946341E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.51964904E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.82319821E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.37429515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.33246076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.71495697E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02112100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.59169700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.38165100E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.20097810E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.56544640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.81190610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.06914670E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.55978910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.30925550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.98900430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.64157150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.48428290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.82108400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.55370100E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.02961530E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.55963910E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.70743640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.20677810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.05555120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.82852240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.18886600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.72089280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.80002640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.03305830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "92": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.66974665E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50936883E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.16410134E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96463880E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20774813E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64106973E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70668076E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.34553901E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24233766E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22287738E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19317133E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53904201E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67823274E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13954938E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28845329E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92077184E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84699317E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98001267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86739586E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20332380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.58503139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92231214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09793695E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93389862E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19091789E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28108692E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52381555E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69147870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62933419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02810670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05884393E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55646976E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01800187E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24813560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38361554E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29899773E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68638039E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.83394990E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98089903E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14434200E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58119976E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89724602E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.09797423E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55067410E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59603258E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.34501008E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45948671E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66866868E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.25641636E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19677837E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19189424E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17482829E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44614780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61413884E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06270341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19336701E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.01430857E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.17040704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47028799E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44963977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.57586995E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98086081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84040828E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59903715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.64765972E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57242055E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38933519E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18792999E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.70066185E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69891792E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27490309E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.33180912E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23237626E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86423636E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43571867E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01279356E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75436672E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35196793E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.99798051E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77011413E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09739406E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19301913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.91117137E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.04324149E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36542390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38063993E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.06231666E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66375400E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63565039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45796002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.74812159E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.72484724E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71955342E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.61336090E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20319168E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.37767640E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.01926669E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.75476729E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.85711632E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36473289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.94342752E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.68446566E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98480492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07216853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.70450122E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.92433437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43960404E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.73859301E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.94349701E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13239850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.45732520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.63466150E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.26220050E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.80417200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.91327540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.11363470E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.92104630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.46394610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.37124610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.26357850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.99589120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.31195080E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.36807340E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.59836360E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.18679250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.61890530E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.90239500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.52427930E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.33988760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.93249770E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.23261400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.83179540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.99192080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.43196600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "93": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69309350E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51546854E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18342033E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97092998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22808714E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64657376E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70641589E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31660108E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20596690E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19482243E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18075380E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53061035E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69737579E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14180586E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28085608E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92725683E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95280757E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12876031E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01306573E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29650470E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.86006340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12623429E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31972531E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21315020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29181622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77829475E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15592435E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96954077E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80454297E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08720206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46671183E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70305112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99483091E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18653384E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.22890740E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30478128E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71036383E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.86969671E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99568757E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15009049E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60219269E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90605482E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13916541E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56929057E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60358193E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.37361754E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47026714E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67266935E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26854602E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19815032E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19054344E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17368071E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44199997E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61449946E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06379042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19392094E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.03247182E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18147410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47333488E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45221316E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.58057373E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98685430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84448595E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59811091E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63727079E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56325299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38134763E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17127878E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66154123E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69370485E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27833450E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39084765E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24643234E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.89092751E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44016596E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01059045E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74621051E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34638191E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.96943953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75869595E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09455455E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19347525E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.92557004E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.05346395E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37000057E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38549385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.10036044E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.69119126E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65630235E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46914130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.80141758E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.74778517E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72565700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.62397350E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20357017E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43430100E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09518638E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.99964276E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.95884254E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41288428E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.18901608E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.81618903E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.05731583E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11312551E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.93979837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.05811187E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51802346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.18107094E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.17605801E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24027074E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.80723800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.89991830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.32440730E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.04652850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.01588640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.15869460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.19146460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.58844770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.75163310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.78202380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.58184240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.03974000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.64380210E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.35097600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.68779330E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.09599270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.80839100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.61274650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.96891210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.29416000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.94527800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.15839600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.81529030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "94": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60587029E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49226412E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10310201E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93953264E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.09414355E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58659287E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68019329E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22494161E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20825000E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24492450E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25134556E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28323805E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40475410E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71443935E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67388849E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03640905E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52144312E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06169635E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48909464E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50236690E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98074097E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.57993497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43465652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11284865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32260515E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.23356895E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02292464E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03674496E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84396265E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18359299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.09467983E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22656241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40653453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25841533E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68364350E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41484853E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71187287E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79858035E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97999154E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14684157E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59633998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90582832E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.14854387E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57860178E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61039717E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.41773854E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49726603E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68916166E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36903166E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25721760E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22375657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19162300E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53453513E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65932595E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08341231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20144452E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04387011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16937533E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46170480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45576080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66916200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.08258802E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92325599E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64939193E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.83927999E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63255604E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39716891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17782903E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.64957138E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66544356E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25440571E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.53787802E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28265620E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.00229265E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47561493E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13586812E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79518362E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36736588E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.06601326E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80589824E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11910180E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20688335E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.00242646E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09546893E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39087233E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39646208E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.14571244E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.70018224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65897832E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46937404E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.80210734E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.74377183E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71707197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56086478E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17430200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49328700E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97585311E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.60651723E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79215292E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33151842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.75735076E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.57327172E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91467280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02938633E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.44786695E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.76339034E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.34941475E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.24933468E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.68891375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01631877E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.95396300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.06483940E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.38794920E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.29420690E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.12001930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.20444730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.27827150E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.61160040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.44054160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.71929160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.61735700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.05912200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.68731260E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.51771240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.75782830E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.25902020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.04161480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.06117320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.02720150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.32750730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.06050360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.27550010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.75453400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "95": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63033462E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49888292E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12597035E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94796715E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12671980E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59925898E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68644306E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.26713722E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24009797E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26908642E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27320116E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.50018801E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60310780E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90447530E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85307548E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16081050E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13400554E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.37532759E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67528014E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62794628E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.92254266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12742096E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74373490E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27730356E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42857768E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98484395E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56637309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32717249E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00352420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25513136E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.55306831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40906981E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45247847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21176001E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.27466977E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18493443E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62703921E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.88226813E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02311416E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16647920E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.68504775E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94575424E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.32302384E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65362460E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64353169E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.56890209E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56707185E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72103966E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.51121088E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32256691E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25585681E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20797095E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61899957E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70389294E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10708954E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21384261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.11758660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19925065E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46151073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44491624E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.51455962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95304189E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82866020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58481573E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.54737537E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.49853518E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34689888E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15739862E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.62678509E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67211218E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26263436E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.51367502E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50366436E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67612123E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72186940E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.13861115E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23879369E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57788375E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.12278690E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.35677484E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41519418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37133608E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.93784028E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.64920270E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72624889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59096045E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.29635069E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37866296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03232953E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66690011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.76889539E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.13076712E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86394333E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.05975848E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30850561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55470530E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.06562623E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.89557371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.91207287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38841004E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.04827621E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.72988259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00130465E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07851669E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.73035902E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.92692535E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.44020784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.72388396E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.91937915E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11574623E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.37342630E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.35072260E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.45216630E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.54403610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.22538860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.25080990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.55947300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.72885410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.78801990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.18552090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.78944570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.32065670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.40005000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.73436580E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.68680790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.82885840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.45446620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.28555530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.17010940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.12494080E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.35157100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.17747020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.54086020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.35870900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "96": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58526459E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48674229E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08174104E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92961713E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.04497446E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56270500E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66971220E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.18118952E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.19104772E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24352079E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26577729E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52452175E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61301814E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83568534E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73468591E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06106574E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.59824648E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.31540220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75072399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66483532E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.74770087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99569671E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64417669E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25179162E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41202852E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91478991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53002477E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35508626E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01842384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23174587E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66826612E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.62403784E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62240841E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27081563E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.72790566E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47764069E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78584819E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.81114135E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99835187E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15857774E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65919661E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93700683E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29099893E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64115731E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63832084E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.54479310E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55501022E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71480120E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.48072115E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30770008E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24841560E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20426179E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60101605E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69544411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10284684E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21167195E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.11282022E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19659281E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45891390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45010393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.57279639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01131996E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88203146E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62650478E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.79265221E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65943311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42872327E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17008183E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68335489E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71451095E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29386157E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.43338014E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48360185E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.62236933E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70358688E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.06525220E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20689528E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56257973E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.04304613E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31636891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39595924E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36188283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.88938631E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61809178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.70513184E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58239804E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.26713496E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37347264E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04058528E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67576338E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83203942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15461227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86604539E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.03196919E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.28515215E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61904470E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33836715E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.78071852E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.28229122E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56580210E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.96909925E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.23470164E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.28811650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24403042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.69566667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.49317605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76338098E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.50176636E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.84210458E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53924181E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.65012960E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.65089200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.74477340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.51712570E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.79621320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.33183570E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29764930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.03616670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.98750870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.94726470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.48934650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.11511690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.39324170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.15850000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.78429140E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.85814020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.90080920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.52959600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.45690450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.22634630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.17471630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.27346330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.29611110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.85034650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.84121410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "97": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59554812E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48937958E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08953066E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93143307E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.04519941E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55639623E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66148017E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.10344156E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12864708E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20313890E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25904251E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79362074E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84493148E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90090977E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73684979E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07190189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.85791027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39087518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72509475E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64938670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.76318598E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02353099E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66493879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23450390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41244386E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.88138372E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52450418E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34121674E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01479580E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25272383E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.63565362E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59924356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62191896E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25468490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67016191E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38042496E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70591870E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.83292177E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00588635E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16137153E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67072901E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94181845E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31316225E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65243448E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64404153E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.57258375E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56798451E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72069039E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.50634285E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31708109E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25046297E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20370939E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.59087450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68760461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09776472E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20877805E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10115290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19275706E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46877345E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46510668E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.69006623E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.05755316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89503140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61778971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65522740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53510730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35442461E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14479717E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56367995E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64830762E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25729449E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.41043427E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47990698E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.62308149E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70936280E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.10646505E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22810923E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57255392E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.09296730E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.34410816E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41223272E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37144102E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.94669687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.64862418E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71899786E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59076782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.31014587E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39049862E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04700544E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67487438E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.80108560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12814010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84574129E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.91359414E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22836169E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.68644570E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23445654E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.43994922E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.13804417E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49550798E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.59535853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.02394391E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16372366E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17063935E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.25951727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23117075E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60790161E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.59646976E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.34219087E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29812532E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.96480930E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.55195800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.92834130E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.58372670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.00551260E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.44002310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.34527290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.08356180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.98387560E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.47341700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.26077540E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.16849050E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.41018840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.85695610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.83037750E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.03220070E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.97401190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.84596970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.61121990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.27370350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.24476300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.25068420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.41653970E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.94199580E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.06615800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "98": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55143038E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47742963E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04662932E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91374599E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96310883E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51528842E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63992265E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.98646224E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05630624E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14211528E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18674441E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.11600852E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72624168E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01414444E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80660907E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07958355E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68874486E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38919428E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80636619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70083720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94640292E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12176025E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73545249E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31221412E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52016423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89520192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13866955E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78993717E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29980282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36917537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.16603326E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74107739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63140337E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21018635E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.36023240E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24281072E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65016972E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.86036564E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03967154E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18089059E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76922890E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98966039E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.54132931E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75971508E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69412401E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80760897E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68055717E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77592622E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78076871E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45326067E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31758946E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23665940E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.75308359E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76810738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13770770E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22829424E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19511143E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22891959E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46991718E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46107437E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63235646E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02143449E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87801789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61248969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.71230072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60660572E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41130472E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18693825E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71988827E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70675461E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27632550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.53646138E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50169026E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67242397E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72261731E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.15343139E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25033168E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58507655E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.16634703E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38582510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43464941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38270287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.00231959E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67386856E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73033759E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59892147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.35966056E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.41359067E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05804201E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67743325E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78965300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11686206E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83510102E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.83787510E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18312832E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75691740E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.31692650E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.70620656E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.24835686E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54774098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.86229310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.16758971E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.24314565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21571626E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.51806550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37885165E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.68886837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.01654417E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.54479704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38487060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02801520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.40372130E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.02265460E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.65103480E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.03165320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.54951600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.39349650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.51036730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.20059450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.30202910E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.61079540E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.48524940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.80715420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.87937480E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.20863250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.04820460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.98828660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.45712670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.30876270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.21359200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.53871670E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.24162980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.61599900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "99": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54849557E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47659838E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04296265E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91184855E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.95438224E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51092766E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63668714E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.95297733E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02286996E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11217130E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16255352E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98572601E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71724264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99936957E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81187293E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12419913E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35787341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75566629E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92689417E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75826886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03657930E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.45801989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98331160E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46088512E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56902917E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00799999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68340842E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97181623E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37000990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33184325E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96858167E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76270559E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74032505E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24105669E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66632769E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40599179E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72760131E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.85462648E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03466000E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17774129E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.75584115E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98603870E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.53837014E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76095319E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69348352E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79327631E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66722905E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76537097E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.70311374E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40131744E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28687334E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22061715E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.67813789E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73652593E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12631976E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22625608E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22079516E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26606040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50771648E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49672576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.91515139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22675060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01335846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69344691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.08164251E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76395054E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47155742E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20600603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.80017218E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73832283E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28880354E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.52262777E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50364105E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.69338196E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73370914E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.19616026E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26446759E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58843030E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.16604204E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38171117E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43286979E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38213007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.99949744E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66629528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71880666E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59256062E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.32684170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39730395E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05313097E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67428377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.75356689E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09131345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81585401E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.72356803E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12392557E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83060040E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40548103E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.98786534E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.36453618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60249675E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.14064762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.31651381E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.32505996E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26208133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.78307250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52866208E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76990695E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.43067828E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.74173239E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.46825710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05988120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.26077220E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.05335940E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.71941420E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.05814870E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.66037240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.44236120E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.69079700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.25398800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.34148390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.42142060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60346760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.95889000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.92916770E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.38756820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.12347800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.18267240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.53708670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.38280430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.18271700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.66265920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.35034960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.82338400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "100": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49422251E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46215359E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99207014E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89165896E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.86944609E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47470234E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62279871E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92098618E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03693959E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13975672E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18878441E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16405163E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70977484E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98113698E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81887614E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12530021E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.09096942E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.63329878E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00006709E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85663684E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11685474E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.87312496E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21896333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74880292E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72182645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12853664E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.21083271E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25296775E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51332889E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44807845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.82372311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15454066E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87242721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46727117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28545031E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59890498E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79105748E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.82154994E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03697462E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18357801E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78942060E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00129571E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.60724278E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79614113E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71318402E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.90113281E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72342855E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79410880E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85160194E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.47931304E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32759658E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24106131E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.77545386E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78050166E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14486970E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23319389E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.24135105E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26169251E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49351025E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48564643E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81765807E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15250324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96394861E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66209192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96594385E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73758460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47487667E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21287007E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82979426E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75361689E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29591399E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.22398178E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89689142E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.88699924E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15576760E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87590384E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.00196419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93601071E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.89075409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.27285456E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.91170291E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64931588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.51911631E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.55933224E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25207183E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89281151E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10480502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.38041038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.58756263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95918394E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01847576E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.63388142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00168772E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.26841222E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.24259619E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90731960E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49059266E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.25980213E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.47684765E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65556840E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.41146287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.46192737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40525428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30755132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.04296337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67513169E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84875556E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.83059317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.93053714E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54786500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11063250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.30665800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.08533100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.78878530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.08503610E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.77267030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.49187990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.05428940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.42113520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.97990870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.76456340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.33368630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.37242000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.97959600E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.56901420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.19983150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.41785920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.63457530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.41276230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.15283000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.78837250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.38371460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.88884940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "101": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49148330E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46129268E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98839145E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88951190E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.85520058E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46579538E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61782117E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.89349361E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02219267E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13237188E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18560943E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.07519762E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61289079E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97911861E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82915657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11461723E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.04386554E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.62648695E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99738483E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85496776E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11232230E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89054156E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24133650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71962723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73424477E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12265177E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.11668679E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24512050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51054933E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45186196E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76555623E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24763016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96825921E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43417824E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.29999365E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63362742E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81099364E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.83480962E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04892784E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19124202E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82894604E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01851678E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.67443065E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82093533E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72182657E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.92758498E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72920740E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79401600E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.84175445E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.47241657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32443739E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24054914E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78558279E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79630962E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16053450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24644462E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.34479976E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33755175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55152166E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52911862E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.12154030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.34015689E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07220401E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71857840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.20095976E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81840364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49048311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19478326E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.77787334E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73946800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29433662E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.65406368E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98633280E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13799664E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23352853E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.13906179E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10029828E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97584570E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00664754E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.35592807E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.95182556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66869200E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.62014768E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.61735680E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29024766E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92192277E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12536601E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.51160970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66370538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99866383E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03671908E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67292507E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00003111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.19072332E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18672934E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98750350E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.56984926E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.51243291E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.58096299E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70464541E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.66153644E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.59627662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47957367E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.34999113E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.28741953E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.81351995E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.92363237E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.21316945E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.11222566E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62456377E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14083990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.09506700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.11710480E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.85936990E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.11234820E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.88646040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.54206710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.34685120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.55221410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.49770120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.41196010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.46118380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.52574300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.03071080E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.75297340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.27726490E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.65880780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.73885280E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.48913470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.11166410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.91585510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.56803830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.23170000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "102": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49169296E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46143214E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98912094E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88985951E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.85760198E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46707542E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61775616E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.88442855E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01770396E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14162832E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21234028E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53258638E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25031519E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49559953E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16899452E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32014363E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02531089E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90430105E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00423782E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83618144E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11246840E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02008888E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35604887E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57646044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72627794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12133397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.04942843E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17623362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44996903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42516237E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62056543E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19674723E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91301893E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42157935E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18766140E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56797157E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78347861E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79049068E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01204424E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17010118E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72811267E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97280327E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.45466523E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71193226E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66985347E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.69321129E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62671415E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74886993E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63713170E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.37696655E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27855550E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21758432E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66871308E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74059897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13907418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24346584E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.37473869E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.37223164E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57535390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54531189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.21028809E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37128585E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07922901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71530971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.23720125E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87713911E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55175002E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26055212E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01736716E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82818300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32347781E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.82401299E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02584486E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.21430540E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25816520E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.26683785E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17253031E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02087671E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03484298E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52242539E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04595132E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72122572E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.91170512E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77575482E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37266089E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96478270E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14799255E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63297005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.72070366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01976902E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04120850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66816776E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98457941E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.06939334E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.11329602E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07290020E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.66399427E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.81149210E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.70369212E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76221297E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.95298011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.75160719E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.56465422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39791077E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.55927231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.96481894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00429477E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.62013301E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.30241644E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70316003E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17753060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.89261820E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.15037340E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.93095070E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.14002710E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.00351450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.59432350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.65382840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.68787180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.00296380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.03173860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.56214670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.49069100E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.08266470E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.94286110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.35771450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.92981330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.87148370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.55228830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.06047110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.04722200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.75397750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.59003000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "103": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46111957E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45302325E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95687028E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87486815E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77795310E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42155723E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59090617E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.72122286E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91287383E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07048119E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17020944E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.57865466E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32910102E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42515423E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15313607E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34163529E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32006756E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03970392E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05939624E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87046305E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15876462E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.27256095E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50633736E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72412057E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75203190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13085389E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24618584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65301060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89930217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68579598E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.90087273E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.62762314E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.14277325E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54269160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.05905652E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16201557E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13580114E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.81009669E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03573333E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18439403E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.80236184E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01156259E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65987036E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81434675E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71707961E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89858904E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71363128E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78545797E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78724219E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43445672E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29882756E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22469644E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.69747369E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75136325E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13931363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23810540E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.32235073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33439459E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55321811E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53508732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.14660845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.34483835E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07265589E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71777926E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.29300100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94779010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59321852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25164770E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07637886E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.91077078E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38280741E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.62533080E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98266961E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.12770830E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23826796E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.18823220E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12730666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99332391E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01887510E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43614173E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00142357E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69784668E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.78666708E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.70038523E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32598940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94091502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13385020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.53711030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66721883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98984802E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02399392E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.57516840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93322174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.81641432E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00530063E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16316440E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.95526483E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.74425363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.09028588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.94589709E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.90061497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.26811711E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.85637779E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56570579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.53978227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.53871546E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33271945E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14458678E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.27054758E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15761281E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26181620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.68389600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.19657940E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.00334950E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.16795630E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.12009890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.64582890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.20275930E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.97031980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.14528820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.27480500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17240600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.35200300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.13697560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.13204640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.43740470E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.29376920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.06510450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.61189700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.51651250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.34136210E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.17843770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.05563480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "9.05725120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "104": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.45971372E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45277067E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95589869E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87427357E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77491260E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41875952E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58684788E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.67072072E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85745371E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01242429E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09863494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49369432E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32805196E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75165842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62432299E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.48726043E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60818993E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35050623E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00685958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19873509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36322132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47397460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66290353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71368848E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09968864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.62332857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25434932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71896249E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76787141E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91893278E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.62245397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12840627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68104897E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86618595E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66944138E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40726651E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.97543058E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15716432E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24972927E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.12608799E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16582238E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.39527408E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.17296069E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89445241E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.77988939E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.15290693E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00545299E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89963280E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00515616E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59610000E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38149056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53126752E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19843225E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38043987E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36827280E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.02165558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71161106E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75774609E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64586005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.76452114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69866732E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28431927E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86420837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05649370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00091584E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39968855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90788120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01487179E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27128262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69365094E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34013783E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.12287133E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85103885E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.73082876E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09975896E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.66024218E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.91198361E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89727383E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.72037069E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.19357011E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87049422E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62482500E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.37938274E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46442030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18523754E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86743573E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09370867E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.30908807E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54225099E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91968284E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.86797233E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.68566135E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11061498E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.05738045E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66948535E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25493110E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.39768115E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11525306E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.67292481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.22162592E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13265535E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.04466398E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.29801869E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.82037167E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00408899E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.43369996E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84740674E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42594119E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.67971938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.80557568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19865127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.10687970E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.24239160E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.07690110E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.19630190E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.23829990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69807920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.74061520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.24550720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.28230330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.05819880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.71757250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.88483390E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.19087830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.32395360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.51827250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.65124730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.25566260E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.31336740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.13524270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.31157030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.35804970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "105": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.48201058E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45839431E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.97243937E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87884252E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.78509755E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41895007E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58547563E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66246697E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85504750E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01182174E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09683385E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40495028E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.19081632E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72840331E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64620158E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.72211688E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73797828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42450512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07295190E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27154060E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99891549E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95398844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96575131E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91313087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21884005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64699481E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73539475E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88065731E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71030365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.93333671E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77147473E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34296094E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04639062E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05326780E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37466641E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70246458E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28348255E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37798186E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36856093E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72736429E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46452015E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08680929E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89639200E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25034203E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05398251E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02954172E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44617978E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21385683E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.15501878E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19379644E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69676784E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.21860425E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11425253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88640686E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65171375E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.60373313E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63349012E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29934342E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96079604E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17347050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93283396E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01901444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28835539E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26200195E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92360331E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74914496E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98794418E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05333582E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54235488E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86377054E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42362834E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.20758469E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88349036E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.83357432E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13485612E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78335066E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95467280E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91326925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.79197118E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.23238802E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89447010E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64046400E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.48251960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52785055E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22131382E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89060790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10794937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.39081471E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59301360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95231451E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00583669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91349583E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28672321E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01344722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22744429E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.35699920E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89340694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27213020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.32062111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.52682219E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29072634E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.90467043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.79000301E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.10534277E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17354346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.45216777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.42980502E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73912411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.18764702E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.39295395E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39909052E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.67950310E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.28803140E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.15164320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.22507620E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.35815110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.75107720E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.27933900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.51985130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.41803270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.53173600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.17967740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.29031240E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.24502460E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.51859870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.60032160E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.00520310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.44502000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.07989640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.36459280E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.44660910E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.66139900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "106": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44306651E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44803255E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93619198E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86438395E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.72137771E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38851120E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56979902E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.57570965E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80158923E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97348014E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06418075E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07535116E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91461294E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61932832E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59370347E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41298089E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59711467E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36983861E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05545789E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27666466E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.06114934E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01770714E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01567875E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94431003E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24540150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.21107798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15215962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17914727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88993439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11859288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.43641290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51855356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97685459E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03733543E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44054872E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79881230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27620868E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39028684E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37968488E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.79810798E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50290999E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10574052E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98641575E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29282247E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07366868E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11871372E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48664798E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23283977E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24699591E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23910466E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71936945E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.33405454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17547124E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.91971029E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67176178E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.77614838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78615135E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43081630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06268084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24946157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.47321769E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39744629E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55098345E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44302711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08080291E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45635704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38722015E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21119972E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07334156E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03611956E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48540597E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.15409231E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87038318E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.79029974E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11888521E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.72153402E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92829105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90053277E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.72572898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.19884897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87877740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63400192E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.46375914E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52504149E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22194042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89594380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11328146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.43180389E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63022484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98436482E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02875500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12331357E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43748428E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10514040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.71169071E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.45554590E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.28955831E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39563165E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.82563777E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.76305845E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41262994E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.56651346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.16850124E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.32514262E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30454962E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.23776632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.88214729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98934605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.47786994E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.98435704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62225990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.26543170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.33381980E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.22743380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.25424590E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.47958640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.80481310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.82445660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.79605680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.55396640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.76948440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.61174920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.47705550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.29970090E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.71595640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.68355130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.35736760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.63410650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.87616010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.58267420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.58358950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.96614700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "107": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38087103E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43139197E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87782538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84111335E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61848488E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33990973E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54553752E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.44845948E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73128282E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93232282E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03689590E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83424485E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66344976E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51394996E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55986729E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26949080E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60157935E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43095111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10472302E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27587615E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.00911078E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99699561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11152246E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04652189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34468406E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86593700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56826804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41276143E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96206854E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16914142E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77732332E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87008918E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12977038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13874394E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98853433E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06599422E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.41601473E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48617304E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42984620E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04319189E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62300194E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16607723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29355507E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44932956E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15345912E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52616083E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69469722E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33900382E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.79148775E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52197827E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86895872E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01400605E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61833948E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16923472E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81504336E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05968761E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27000998E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71348935E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22332955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34606879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.03222188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70235819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70870426E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51413153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37775950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53127761E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37188036E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20757112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09607425E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06835377E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50505939E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25732048E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89078310E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84946964E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14028198E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.80448289E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.96415629E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91822076E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.82038620E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.25146118E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90835205E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65091372E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.56504142E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.58649512E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25906629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92134884E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13006066E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.53680661E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.70242904E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03655314E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06490529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37740289E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59755195E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19616704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.17587366E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.56415270E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.62593619E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50308567E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.27380568E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.97454580E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52170465E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.15651511E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.50388945E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.51911949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41969507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.92526591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.28057634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21417901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06796329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.56898773E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.85350008E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.79137450E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.38024710E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.30437610E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.28382650E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.60265290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.85930010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.37971300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.07581950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69096900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.88770160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.03980800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.49806610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.35510590E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.91607710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.76797360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.70896260E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.82354290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.68596620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.77661490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.72248450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.27273510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "108": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33269623E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41851417E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83268372E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82318050E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.54099166E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30477679E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52929369E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37356296E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69817603E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91879784E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03264584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85198023E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74773856E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54405948E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55186768E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16054784E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51401938E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37400874E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08750776E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31115890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35357781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26866244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26325371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16866319E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41004686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72303455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51599702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37675879E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08066643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22202827E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34117242E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35468451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30901222E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23322316E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.50849182E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34128974E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.32558353E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43810001E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40848826E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.95180081E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.58243045E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14620015E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18659046E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39042751E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12203808E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.36441752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61240540E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29692845E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57387226E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40746952E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80729469E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.80046315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42782244E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05982411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75229867E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02348390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.03259619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55051710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12253603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27547462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.56428591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42520750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55567610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44020629E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99628812E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32397680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23440848E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13579586E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75133443E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93160698E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46599600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.61082747E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97163167E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.09272802E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22551945E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.14110391E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10984399E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98633142E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01599233E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42985895E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00646273E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70686814E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.89340908E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.78325035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37883655E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99543036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17621890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82594027E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.88239844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14868597E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13375706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77919293E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81695359E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30867606E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.70614201E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67822940E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.95845653E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60576278E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.68803827E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.16708418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62087843E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.69589193E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.81243689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.69894774E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52675721E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.56323870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.65189758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.42630398E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18377640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.15030549E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09013101E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.46382300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.42860150E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.38249920E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.31382920E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.72736900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.91454560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.94805570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.36037060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.82962850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.94657160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.47700620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.07527960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.41133680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.11896580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.85359300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.06089820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.01377970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.49687490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.00918740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.86331370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.58155380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "109": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35477948E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42425298E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85073488E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82894279E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56031660E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31088246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53074373E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37080431E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69206830E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91663745E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03935295E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04140768E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94101657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56370723E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55195065E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24359501E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55475860E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38025689E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09895711E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36255520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.78863358E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52626730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36054257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17140783E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39704603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.33929881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82691970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61827476E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15134839E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30739224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75243499E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51275426E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63479795E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41920868E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36041219E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68802643E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.48006000E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55092594E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47009910E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26593635E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73989099E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22529921E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58650128E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59170756E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22190178E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85526992E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85505383E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41889116E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19798356E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73211614E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97914836E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07276890E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.93870073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34869396E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91668183E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11578146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56743955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85973189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29621374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37655785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13789707E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73541932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72428035E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53188993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46635783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53510826E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30091525E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14076172E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76111994E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98548630E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51012149E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.17486083E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09710625E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.47059397E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.35989800E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.67555707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33862604E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08962654E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06540434E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.68010879E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13953401E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78012166E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03061016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.02053597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.51826932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07844566E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22627777E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12884239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06691699E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26246422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20283487E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.17418477E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02984495E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41764949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22202021E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79820070E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.27363523E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70381075E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.08724823E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.35300194E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71614036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.21050686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.10431960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.86790524E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62678574E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.15807475E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.00018295E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.62803706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29622784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.73130264E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33139137E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.10230640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.47812240E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.46179140E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.34425790E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.85374940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.97055380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.05319710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.65066650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.97037890E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.09769260E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.93365800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.19834210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.46848190E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.32462350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.94040840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.41388270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.20517740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.30619010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.22574390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.00607590E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.89294610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "110": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30790073E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41178380E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80722313E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81152422E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48200978E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27280674E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51137241E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26958422E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63682414E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88318618E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01460230E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82599136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85010707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55613261E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53518952E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.06034996E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52389804E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48598262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26273664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48192341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49218137E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89522756E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52081241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27519042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47398207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01212820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.34978384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98570897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36186210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44065118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58616473E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07113026E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76601076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47284221E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.67102624E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87202974E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.56767129E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59815913E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49176224E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.36225556E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78361874E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24556053E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68302495E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64005873E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24729792E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99060779E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92620332E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45577396E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.39082729E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83491978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03450316E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10273535E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10298882E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44044885E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97084568E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15095596E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81030138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03337528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41832707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46536534E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.76333242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.16559936E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01656733E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72178445E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.66664388E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29997901E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81569298E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41687474E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96883625E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40532021E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62899706E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00490181E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29741144E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.08289133E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57989810E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05606975E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.72776544E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27361906E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15753844E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.16182727E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.40062481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92576284E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11340668E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.50429554E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80839128E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24864464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32800129E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.74500760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.42566686E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46982695E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32177162E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82085010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35843742E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57250538E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88647200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.92543730E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.57413318E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.79726212E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.46792982E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.53064345E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.80729002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.70399757E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.38453473E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.03046042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.72315472E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.73205155E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.33804247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.82549268E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40760720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.31551503E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.57727957E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.76354280E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.52987140E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.54224760E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.37510410E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.98177670E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.02731880E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.11339070E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.94753580E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.11355660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.19949710E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.42041280E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.33156160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.52657020E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.53303940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.02841410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.76844660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.39793820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.10962200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.44286260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.15075900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.20718440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "111": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32963330E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41739348E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82465082E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81688027E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49750743E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27556012E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51045074E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.25492477E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62692302E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87921293E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01528250E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85639221E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85602993E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55479559E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54208281E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09178461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49695883E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44862684E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23941946E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45327487E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.42652522E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89988043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50545010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27639863E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46622500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01751391E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.33666160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96490590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32459114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44148354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62084423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02501108E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02173530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61951163E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30567041E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12630953E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.64035460E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67539711E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54120168E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.63766306E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92907417E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32079851E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.06807205E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83563724E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34659656E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.49771151E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18656967E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58946423E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07478064E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18504607E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21582578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19855066E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.62105175E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72828313E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13589614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24987371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45146995E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45918639E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69200228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64981508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96198520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.91865076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48501236E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00814313E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13398132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23044305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30056071E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60850559E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.64977666E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62158027E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69239534E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01102172E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31959730E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.16361322E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60722075E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06490935E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.75930237E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28674177E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16330175E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.18666491E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41119063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93047679E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11605941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.51860397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81480198E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25634226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33428798E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.78775550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46649120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50660604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35129111E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.02220029E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48570918E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64791602E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.28891144E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.05839260E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.87763137E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89116232E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.84779561E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.70663049E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89694015E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01865253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.65687769E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.18775230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81605888E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02845292E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.66432202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.01796245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51771310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.90404148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.82760263E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.54675050E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.58017300E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.62392160E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.40638100E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.11151250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.08487550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17559820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.25165600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.25944750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.30142680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.95469020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.49761150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.58565560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.74427770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.11764040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.12505460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.59233500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.91003120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.69315830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.29740810E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.52452980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "112": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28348976E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40500323E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78082602E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79919419E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41844044E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23756166E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49085023E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.14545754E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55935593E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83304454E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.79256875E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50286995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48192450E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38338824E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47319109E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.77046508E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35314782E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39833265E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22760060E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44415827E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36454097E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93554622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59885499E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36308348E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53009368E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05739052E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99755409E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45664074E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59941275E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59387103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24871674E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.20059377E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13181760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70060631E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79908964E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38774122E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62254239E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67351088E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54267713E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64652737E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93278966E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32192978E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.06838514E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83439975E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34635907E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50176263E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19117104E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59227363E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08826107E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19212664E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22045165E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20180315E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64417067E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74449587E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14489856E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25084340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.39299969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.37063871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61453565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58221789E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.43617305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54424193E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22859365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83196222E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01548816E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.45665731E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80743078E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40453853E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94444049E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42238079E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64434980E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12641028E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57143981E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.90755626E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86941813E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16948288E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.21329700E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49726094E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26680872E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.72058114E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69747256E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08869290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20507178E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.03358308E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12054118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43347384E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43941821E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.42314879E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.83670490E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72158764E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47396736E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68168559E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81692311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80289488E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.95273237E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.19991820E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.17203182E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98173822E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.21312396E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.87588980E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98319291E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06514404E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.91938275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.33941180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90557653E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08169625E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.98022315E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.20617398E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62686943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.49799127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.08241165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.35545550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.63409000E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.70674540E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.43807140E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.24287770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.14317510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.24006290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.56372870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.40830290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.40619090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.57011180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69058970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.64577180E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.95826860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.20804870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.48406170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.78852700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.71092530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.94737170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.44597300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.84523420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "113": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27196403E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40181172E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76915925E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79430975E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39815540E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22955007E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48813092E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13670521E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55206807E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82164857E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.62298159E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22953390E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92147343E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67361987E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88208746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93567253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61256521E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22237016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39805397E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85855904E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61491969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55467881E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43180164E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64040194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12017162E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24649384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60033228E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59484257E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71841941E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08733039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36593759E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71258074E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29886893E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11526856E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01964399E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78822227E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79251465E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60979217E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.00506570E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11991699E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41855244E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56646361E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09019500E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47681051E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16130990E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52296712E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76040809E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95561770E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64866537E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46519716E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33528492E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38531948E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16586933E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38862032E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39245047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.25374353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89609360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92614557E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77868026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06613145E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.28508530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68624509E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12194485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19933177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61340776E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51823441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72049802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13589190E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81167733E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75663167E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16714124E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.66916817E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21164227E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97833395E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21242639E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39607613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58130105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30861623E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.94343971E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.82295013E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16242539E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24984606E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.31451415E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30119781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54951252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51544014E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.92648999E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.16215777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93198011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61038598E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.53123860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33182672E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09880286E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34384342E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.35019270E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.66784641E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13455133E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.83105889E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.16214588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12935368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14399278E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.36596446E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.59859044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.05940889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17436154E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.54501004E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.55573168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84637679E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.87587823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.73547013E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16249082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.78266020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.79146530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.47094850E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.37732600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.20262000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.30923280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.89750830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.56923860E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.56108030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.48076710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.40439630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.70493150E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.17511690E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.29967600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.85217230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.98922720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.20311650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.59648780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "7.18975850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "114": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26033797E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39861654E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75619038E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78781943E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36271088E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20940507E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47660635E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.07431758E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52631940E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81906673E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.73215188E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42119864E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18800440E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01508625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36424516E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85520434E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72596203E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62189952E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24697245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32834569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20140838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08075010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31631115E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26480640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49018114E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.32444366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63329153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.14759330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19116357E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36044159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45721060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24430169E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56942043E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25619421E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55232207E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.71686810E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74532433E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58527086E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88873651E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06645977E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39360764E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44592635E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03101177E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44838769E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.03168972E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.46705483E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73705835E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85790925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60557843E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44367888E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32305040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31531519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12995646E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37364697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38977369E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.25862051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90657956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93087963E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77481973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05691523E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.21876676E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65091628E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12745834E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23561840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15215577E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03290889E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07920174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01708236E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82197574E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22215679E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24588240E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84906635E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78025433E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18705384E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29691001E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.76369597E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75087939E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39062891E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.35540610E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03779425E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27934635E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31616835E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.71117594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54825517E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.70176626E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61169459E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.53741366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.53846630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16557103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75695437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.42412193E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.86065188E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39010364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06334671E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.50808070E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.97374160E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.22900735E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.21249703E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.33899326E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21940907E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19257744E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.64054411E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.75809214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15442287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.23219110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.90479978E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.78889544E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00313700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.92431016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.28863198E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64962588E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.84195530E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.87652480E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.50345010E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.51201030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.26244900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.38187320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.24312990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.73549120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.68512420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.21322040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.41562200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.76703150E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.39476780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.39251070E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.22196320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.19499970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.31532480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.74898160E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "7.52088120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "115": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24911974E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39553632E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74440734E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78234057E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33412453E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19286823E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46626125E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.00439183E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47609955E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78335897E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49346305E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27963478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16130723E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08713492E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36289221E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50071675E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49964280E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60178408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27387670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34457367E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.23908379E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05250060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30429246E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21291361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44784260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.35071470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68943819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26438607E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08357640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25477219E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.81432891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54863722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64221974E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37176563E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.14006031E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85958919E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85210836E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64516561E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19261901E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21611493E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46698725E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.80711749E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20962760E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53668391E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.46558964E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67953739E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84065184E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.35772192E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84695318E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56403755E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38684653E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.67743193E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34883152E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51336173E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48260944E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89476072E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32898726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19974406E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94895519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16746630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88254306E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03845438E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33493378E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33543728E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.60463468E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30204003E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29863045E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16588245E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66269622E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63584306E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26167483E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86623031E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78557699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17917223E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29058532E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72578478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73182164E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38169477E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.31698941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02355784E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27480958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31508533E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.70380044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.53880226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.69940113E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61142365E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.54570638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.57377187E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.21004120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79994676E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.77276302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.11396721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54685635E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13037590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67754940E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.29160971E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.32630148E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.60235385E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.51835799E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.30999477E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24103456E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.91175637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.91402590E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.24626977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28744995E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.24474052E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00883114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15336038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09445192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.82415648E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.72630012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.90063440E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.96276870E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.53637740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.64843370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.32310710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.45915270E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.60494800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.90867230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.80718130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.92753000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.35089970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.82991530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.61732500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.48660810E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.59642690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.40470800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.42556390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.90347770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "7.85726310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "116": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23799264E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39243286E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73221874E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77654820E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30361696E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17550479E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45627386E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95052171E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45135157E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77399324E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45016585E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22044631E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01773055E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84961315E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24104198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59874466E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75488016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70799507E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34424619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46206219E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.44923485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23597524E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06634763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90453402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91962782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21287140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.55527084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76212099E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08903042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86070937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07350022E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63436145E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99741663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49319761E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53593169E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95283268E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92544355E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68890395E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43198007E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34302600E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53313566E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.14818682E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38429639E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62592154E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.92426176E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91704662E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96476567E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00207773E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21092833E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76757524E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50146919E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31966562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70443277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70741286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58723125E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.48902770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68018302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40914977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08355329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25576715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.47618060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46042724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64115336E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55375259E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02077303E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07917555E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66032301E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33259718E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.45491010E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01679730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39359689E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17890374E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.72932834E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.51219359E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42255879E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.29399898E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99220276E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50820677E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96269237E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.36646597E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46374386E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42203929E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.33368684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91983532E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92291987E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74763209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03943489E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.07649384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.50858263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97696303E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08142891E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71221099E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86471548E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26597270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.85781720E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.56966134E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.41096043E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.93912208E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.67277691E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38790675E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28287391E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.14744191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.05083219E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.32785505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33730647E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.55766996E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.21695517E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29985956E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19523675E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.35074608E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03550735E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.96152070E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.05026770E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.56974170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.78661050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.38457020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.54091790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.98093750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.08741580E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.92867370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.63235400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.49813260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.89346300E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.84274410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.58193660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.97502220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.61765340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.53469770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.05995550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "8.19838960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "117": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25924042E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39786639E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74856617E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78116779E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31532502E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17731863E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45570946E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.93830899E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43691468E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75966225E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.32921669E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12878219E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98100204E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00438650E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43170464E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84763220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46049200E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46987096E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26498640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44727104E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.57744976E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.42001428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33513402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84369578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85078189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21733914E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59651688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78373460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92185735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82054393E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11983838E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.87400090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51783240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73895855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53124545E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.93246819E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89712442E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66943502E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31554976E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27713614E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49736978E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96070208E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28752702E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57544646E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65176570E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76554718E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88023194E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.54900475E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94360639E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61315371E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41145997E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79694086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40153287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53306745E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48995465E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95792122E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43943689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37144210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13163157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32966028E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13703554E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94917227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95267920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74192612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00892452E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69421784E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01956499E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52524012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38304128E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43311967E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32297364E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.01410573E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.23876746E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.33631141E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35134132E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.98288898E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84773093E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43697264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.59249954E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.16481893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34908042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35585871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.93428876E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67303882E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78548689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66653603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.90368697E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.82324837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38748080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93312913E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06912481E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.69840840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87485417E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26036933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.05294980E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.87052991E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50204991E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02993794E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.83696914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.46996228E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32635146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.38892678E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.18942948E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40986042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38706840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.86604040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.41990975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.44385042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29548185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.87285453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27770312E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.01991260E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.13892610E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60353020E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.92646900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.44681640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.62770050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.37177240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.27175790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.05050050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.33302170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.54121580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.95784670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.07100360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.67848700E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.03577130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.83375250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.64320680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.21839190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "8.54423950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "118": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24854746E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39495779E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73765924E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77625390E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.29100862E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16380784E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44752897E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88591249E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40160683E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73417123E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.12592703E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95335065E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80074865E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70828513E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21733487E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62943305E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64966578E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58140072E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25880184E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47289887E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.82329929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44618236E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10574543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72635178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81140109E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21460422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.45100752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49058231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95347603E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83892540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16166488E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.75425819E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66995155E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85479420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13633895E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95852932E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92231113E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68599722E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40624713E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32279378E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51963552E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.06722550E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33736752E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59921303E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77594264E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83692071E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92222193E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.79057721E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.08057925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69240533E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46023844E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.11773863E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.62080977E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68465450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59444659E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.67099966E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.90306127E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65442581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30463929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43239383E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.73188672E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30197846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16777708E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85750803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06303456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.89913886E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13360961E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60458662E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93676508E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75337574E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71465154E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90028353E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19206574E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28988008E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73011158E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.62404365E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.61015158E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81113222E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.51191306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.19089158E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92040197E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68117510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.85063897E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.81536027E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43464918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05160436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22036083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.10581277E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09943134E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31660744E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27389211E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.77011148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.40324762E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48286099E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.24799720E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.10550500E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.57520427E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05972300E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.97735881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54313815E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36712631E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.62608209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.32982910E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49364857E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43733765E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.17195337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.61890960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58634757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39572680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.39327270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.63147721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.08398950E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.22884340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.63773060E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.06804470E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.50985930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.72015300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.77831670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.46183000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.17330660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.00333260E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.58516460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.02296780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.30214230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.77627310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.07445720E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.05298370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.75149780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.37881590E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "8.89487260E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-av2z.1.element.json b/basis_set_exchange/data/dyall/dyall-av2z.1.element.json new file mode 100644 index 00000000..3e659053 --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-av2z.1.element.json @@ -0,0 +1,450 @@ +{ + "molssi_bse_schema": { + "schema_type": "element", + "schema_version": "0.1" + }, + "name": "dyall-av2z", + "description": "Dyall's augmented valence 2-zeta primitive basis set", + "elements": { + "1": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "2": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "3": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "4": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "5": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "6": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "7": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "8": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "9": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "10": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "11": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "12": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "13": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "14": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "15": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "16": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "17": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "18": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "19": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "20": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "21": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "22": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "23": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "24": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "25": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "26": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "27": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "28": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "29": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "30": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "31": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "32": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "33": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "34": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "35": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "36": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "37": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "38": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "39": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "40": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "41": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "42": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "43": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "44": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "45": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "46": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "47": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "48": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "49": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "50": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "51": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "52": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "53": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "54": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "55": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "56": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "72": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "73": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "74": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "75": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "76": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "77": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "78": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "79": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "80": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "81": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "82": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "83": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "84": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "85": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "86": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "87": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "88": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "104": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "105": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "106": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "107": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "108": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "109": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "110": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "111": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "112": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "113": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "114": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "115": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "116": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "117": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + }, + "118": { + "components": [ + "dyall/dyall-av2z.1.json" + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-av2z.1.json b/basis_set_exchange/data/dyall/dyall-av2z.1.json new file mode 100644 index 00000000..929b0510 --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-av2z.1.json @@ -0,0 +1,66853 @@ +{ + "molssi_bse_schema": { + "schema_type": "component", + "schema_version": "0.1" + }, + "description": "Dyall's augmented valence 2-zeta primitive basis set", + "data_source": "Data from https://zenodo.org/records/7574629", + "elements": { + "1": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29687389E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24571508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83382422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.00164139E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58629441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99766770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35902587E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02448897E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14691054E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "2": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34522333E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52200252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99840299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21385929E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67371603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09005872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97344735E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27228449E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.90416896E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "3": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35511989E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01233011E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13838273E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21730657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04340051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68402247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36667189E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17762820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.44368272E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82023810E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.55154907E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25548696E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37071123E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67290922E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19202868E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.47386748E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79497017E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.52550008E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "4": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40943779E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.54789411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16522522E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11703084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98836699E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08885657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68769158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04861275E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80904262E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86686838E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69265143E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31800101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96193922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.48448593E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84445860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02251455E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74948730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.95519767E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71217265E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.90653847E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "5": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31890933E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38381575E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13231718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83973383E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87378723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02925898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97389889E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61011130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27059892E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02704305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96312407E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25301829E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11445067E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50095842E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09574383E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81570551E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48912221E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72291541E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.46511210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.82389623E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "6": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.42995851E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25053402E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82743110E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96080882E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56825450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02650296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32774491E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.06582082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.65254808E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28879080E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20847835E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40303695E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77836858E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32153370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93710219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79198301E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.60203767E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84450359E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52361971E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45443262E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "7": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18811750E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75538845E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95938764E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11307086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58959691E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26367612E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66951503E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29793688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15279750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79915698E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72423049E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76179541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09319427E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29673806E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12932532E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93173563E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31750516E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00347301E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.26922465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25482421E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "8": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59925081E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35199842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29060079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48462548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78417313E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68559662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23711537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75808802E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90688830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39078229E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37104770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33409745E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45830479E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42797374E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51782600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24175730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72133105E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24505855E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17766132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30124445E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "9": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08122193E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04524252E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82912687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91245323E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15619638E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16954416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03372746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28806696E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91891561E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06490573E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14278738E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.12382078E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87382214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71665823E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95959041E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.72331544E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17227007E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58062230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61811961E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59945026E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "10": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63937466E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84039579E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58347380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39831047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70985719E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71659873E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00621973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88859221E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11904975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82176942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13403907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01356529E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34055004E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16482787E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45525847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37825292E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67057270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.25626434E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16640868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.40817214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "11": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67792806E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30926008E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18110639E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29023939E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05644880E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72817927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39450756E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79319847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75439259E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05162152E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36878648E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63828723E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32237456E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47741784E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51036063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50295268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08283663E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79319715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35313127E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65632696E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82262627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.51878594E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05385167E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.93760548E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96645265E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77612840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "12": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04215416E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61269535E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90202674E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27577646E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69320161E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01840839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31731851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45704001E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63556906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99737371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49554207E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07697801E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01639940E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34309914E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07387988E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81457930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49657424E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30731907E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94280859E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97272353E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70895143E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30355053E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89852331E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.18259110E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.88167943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.64065990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96440169E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.36156252E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "13": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22157890E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15957649E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54453086E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02795217E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24966679E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99049065E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07705104E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24983416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36586330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18932643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75866307E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.51081752E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17724199E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70038076E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26443560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95414963E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.98745273E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60395194E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.65061208E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11056456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00913311E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41539264E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93201508E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.27316775E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "14": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04052681E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45312628E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16940829E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71719057E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78191231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.85902809E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78633488E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52888958E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12846838E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50246568E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53084395E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29886769E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13172058E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30667196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65812543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39331074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.59974926E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24463955E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23477396E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95467725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.50710464E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24201687E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73978756E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.00180146E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "15": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27817378E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76768640E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83218251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04954834E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33885131E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18038894E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52126521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81818021E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94970020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84448181E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39615003E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23961699E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.09756058E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85869276E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.91826403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78899440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00455314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82167337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48745844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.87903897E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12515635E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05818876E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69960709E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13423367E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "16": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54184920E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11164907E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54982671E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24071939E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93423320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38737228E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30098147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12522226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83532969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21651914E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35406263E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58029412E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10255140E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28066668E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.87268972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08585687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11045374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23339093E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66758667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77518751E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40320203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88040255E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79833420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52442063E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "17": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83564141E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48976149E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33136839E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44747214E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.57469222E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60909254E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13372865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45295705E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.78828036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61928140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.40489018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95237127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15087703E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56419165E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05052504E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27850628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17457206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45062217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71836439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49194218E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65501477E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.68308242E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.03155407E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97360252E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "18": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16279421E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90551539E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18297423E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67123592E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26420305E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84680306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02381594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80283299E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80955209E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05293044E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.55213131E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35714250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41458248E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94782136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13634523E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54180102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26478698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76934758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76329840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10804371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89399130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65180048E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.40546739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55513919E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "19": { + "references": [ + "dyall2009a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23346796E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.78476932E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41007573E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74788004E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16599730E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05465044E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53274876E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20131036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63465610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.55018881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44042570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30864665E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25541111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36798580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.65017574E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73826462E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83258358E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03617736E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34142339E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31765579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67450904E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05335610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.29680817E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62260554E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.49320351E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46107895E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03419230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00020592E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45810706E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89189680E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.48574732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26087470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "20": { + "references": [ + "dyall2009a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.34294030E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13143411E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67647924E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42972977E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37198760E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75488067E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79307628E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24040898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06589921E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.83698689E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99960282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02591153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26117505E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90013300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38002180E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62961267E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39371351E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23652780E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77429159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65134662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16262220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25001464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13409405E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00760068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36741186E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38755227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51056920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65373635E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63106572E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.77311934E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17820740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.60158330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32081131E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.61592664E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "21": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41738427E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41903536E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92827163E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06799578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56326832E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.40053480E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03153468E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.18667139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45940709E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10873565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53794521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18968284E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88489833E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34482262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99786157E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.89155674E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41560858E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15608323E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.81845628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58716811E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41994709E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85244917E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30219949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62543439E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89583018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.70145162E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.90398015E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57523693E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62427201E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.20758110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40858597E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.44899597E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82410274E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.53918207E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34806949E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67825538E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56595129E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "22": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59904355E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08220080E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20028703E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75260006E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76723021E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08559950E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28347658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.18272879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87263457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24079581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10726653E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36310175E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56585945E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.24167204E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28581932E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39409808E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61958016E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58601463E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11258571E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06151204E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60978595E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.65524465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63172933E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10063824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43368165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.67287916E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14829776E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.90178153E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29035248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.17650142E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.11099408E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11587274E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.82718064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17759016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25018784E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.63676263E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.94276261E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "23": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88945906E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23425746E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49284481E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.48400250E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98392083E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80999884E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54881562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02281940E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30549952E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37962197E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70502486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54357352E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26362284E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.08933533E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55165196E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93509383E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84096929E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04700751E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25192313E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56525911E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81103948E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50516525E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97932486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24507161E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98934917E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06109796E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37588688E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23466268E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90307539E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09812314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75717304E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36290735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.72656672E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46226594E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.01448724E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12966362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37468827E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "24": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13028951E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39955009E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80844948E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26777444E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21482853E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.57828283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82909620E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13287460E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76010543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52556093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.33261976E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73185288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98426107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91906655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80646451E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.47375746E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08104978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54076516E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40023428E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09946664E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02404678E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.40339167E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34548422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39626867E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56570418E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15351730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59284618E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55252279E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51062513E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27670271E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.39818271E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60665713E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.60393079E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73545369E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.73459660E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38970422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58091600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "25": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28370853E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57820120E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.14754996E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.10516328E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46032619E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39168162E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12476279E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24861157E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23713606E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67879038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99081857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92838823E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.73109324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07456911E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05540352E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00057954E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34126497E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06925595E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55796435E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66542088E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24923598E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.35147081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73085093E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55460820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16468603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24546143E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80219437E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.85565298E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12813486E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45797905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.04999995E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85361104E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.48547948E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00625150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43849501E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65856471E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.12155006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "26": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45118707E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77207145E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51309328E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.00232712E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72195739E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25460851E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43720718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37049897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73815093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83955383E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.68057226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13353205E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50648558E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15781677E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30156473E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05340213E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62313779E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63451752E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72556586E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26440696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48702824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03509040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13602691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72039836E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78768226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33743008E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00564974E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.14537858E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.76232139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64398947E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71964740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10661955E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.38284663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27876313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13998222E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.93871575E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.38275692E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "27": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63169276E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98061435E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90449256E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.95826795E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99949339E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01664042E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76620883E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49845945E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26291290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00793207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.40226850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34753759E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31195123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24219131E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54670077E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10603339E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92826743E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23865315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90349794E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89770932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73783918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14031561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56159224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89390789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43578317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42972100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20428236E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.42312876E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.41679402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83582327E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.41084226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36718561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.30218453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55517128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.84585800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23165872E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.69000695E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "28": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82911991E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20714124E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32667681E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09828082E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29530185E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11336562E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11380359E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63316080E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.81355257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18420147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.15694845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57067226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01489878E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32809399E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79211720E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15867681E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.25834127E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88385050E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09223050E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.56662322E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00208212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25096660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00810415E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07537752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.10989742E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52252236E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39880648E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.69081591E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.09375498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03413813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12580302E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63619982E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.24713618E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.83677235E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56019587E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53914356E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.98353350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "29": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03758978E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44746199E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77407344E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20655163E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60695703E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21497665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47798474E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77395399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.38806261E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36827462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94440489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80309215E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10183453E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41578813E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03854960E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21137538E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61513789E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.57239731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29224971E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27247632E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28017782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36718929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47612718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26503830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81083339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61595462E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58972602E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.94733785E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.79468770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23937001E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.86598286E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.91424038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02200580E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12440496E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.28503894E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84632713E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.99320662E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "30": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26747490E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71105177E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26192938E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32395406E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94321251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32412700E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86763519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92399027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99734993E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56276938E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07796221E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05767637E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20579026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51791203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33675189E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28306961E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03597448E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37444683E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52380423E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.08688578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.60076691E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50132696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01872232E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48276318E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.59036439E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71168243E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77340544E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.30540756E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.94217597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58060338E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.12281452E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41834351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22183430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85370795E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02189443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.29706214E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.66610901E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "31": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53393780E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01895586E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83285650E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46132080E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33631952E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45157280E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32161744E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09781232E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69253704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78236187E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17396176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39595177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36900330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01619295E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35445663E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34775500E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.12265211E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04125569E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10993408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11520023E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42424276E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85498567E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.69458328E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14658456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19940686E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39820927E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.51562571E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42967940E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23474619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.60838769E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29999784E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.07899106E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95065344E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.96231835E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91389544E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.23958680E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "32": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81751730E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34730369E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44026065E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60691681E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75135539E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58563409E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79749083E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27937937E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41654307E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01238979E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27489877E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75624900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54617527E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54786891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46052718E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24354100E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83184125E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17093418E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47659896E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24278408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.92665014E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06827795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66977158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55761073E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37832276E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93966317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.41712236E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17519380E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42828940E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.18532206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51670034E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.98781134E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34286056E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.62070416E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43551427E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.49176230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "33": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12433336E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70089365E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.09073834E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76195211E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19096180E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72695276E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29694027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46916828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01707962E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25284663E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38072306E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13706450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73598747E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11494199E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16970807E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08761420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60866375E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31073090E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86811211E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37819778E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.45796177E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29356558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69590458E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99224595E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57217638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59097324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05285744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85666170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63399733E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79699638E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74693862E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.95636942E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76398160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04220715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02713194E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00852340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "34": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44182887E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07068138E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77244849E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92426126E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65024729E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87425360E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.81631156E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66608978E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09522841E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50346902E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49130743E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53761700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93762065E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71820397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40721423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92783830E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.41469836E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45355104E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26408063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51422736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.98886667E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51773684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07012630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42319557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77020284E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28396295E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27540235E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52657730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84809810E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43191300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98619765E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96442614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20429727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23191148E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.65720969E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28304400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "35": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78958133E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47177995E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50617210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09773970E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13808262E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02984561E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36219834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87212821E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17667917E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76490147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60686781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95782770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15077460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35777194E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65871691E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77845230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22636816E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59529212E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65309949E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64692205E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50352075E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73373645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16494781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.83745152E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96737053E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00650311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50759924E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19952920E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07075719E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.09053896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23455412E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.01205758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66355605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43085343E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32158952E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59020310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "36": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14098736E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88473543E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26640299E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27776348E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.64418072E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19109855E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92722388E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08512335E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26083423E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03665991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72720374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39736984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37509131E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03394409E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92437314E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77589420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.01590791E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73131083E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02261944E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77201567E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.98507883E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93416011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25014174E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21990010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15741984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.74981830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74772323E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00089580E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25939509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.64569801E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44283436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.88093527E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03887103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58810227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.65251237E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97089570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "37": { + "references": [ + "dyall2009a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19635264E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95185268E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87418244E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46021632E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24593817E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38817217E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.97244830E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91561348E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82494503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34934243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47589918E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03412778E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91644514E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38934163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34534143E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39272605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.10622351E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51565722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19505930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18224075E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45122358E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26495929E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73849877E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13038413E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.77048619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03822935E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19282693E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.04398842E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24056742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.58812594E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21889631E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86157791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.51249400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31308269E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09882700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35878058E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29313328E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83857959E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92346311E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15468718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33767148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81807563E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96570358E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48160781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44919987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31308269E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52240840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "38": { + "references": [ + "dyall2009a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33040464E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17820441E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.36769195E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58723283E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61892389E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50982015E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.40460883E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08024771E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48931577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63023306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59909815E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.61625372E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19274323E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51773615E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83906209E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64914458E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23945441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18364589E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57654590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52582726E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29762764E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28224421E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02905846E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59644277E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.97247387E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43302328E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34278617E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66766122E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52411443E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10542882E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96103740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24113841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08239113E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08061783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52552630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.22782563E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22690315E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.20377592E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33267649E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27365286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79046900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01243698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.85648167E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90027701E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64080283E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.95251237E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35481100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15773688E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39193424E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "39": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51842146E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34580477E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13688574E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92930297E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.68989746E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87248835E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03524133E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.00315190E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64061162E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05650418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15892518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44957297E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08536580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97252838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44898648E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04562563E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80277639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.34352146E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70326798E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73835672E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73333957E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22087305E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27720241E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98850649E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09676947E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75599727E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46425247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16902439E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72251797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18146007E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30786688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41592236E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.12078845E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55157071E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80675520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71911945E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.73390897E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.36710384E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57343871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.94444107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51444951E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12376257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.06201960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22752100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.28852074E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86905339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.90967784E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46121560E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.43324450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88717700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "40": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66261600E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64491645E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20995401E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13019791E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.30426785E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07789483E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10935086E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28841698E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75662621E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.55065637E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37750324E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54867099E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52391836E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19319747E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55882526E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.51594466E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05021335E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.38422853E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17692628E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71573813E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06051300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69645729E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53147576E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38593352E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19646443E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07670469E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58409616E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66133225E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93713975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27646908E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75536584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63404421E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01538082E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98177907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72340080E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95586643E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.91003473E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71428443E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67337655E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.32101374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67571344E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19744072E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.41600488E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40491557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.08048315E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.27333380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06070111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.10258546E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.72998380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28998460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "41": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75878601E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87797865E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27031186E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30099485E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.83524153E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25713585E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17439194E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53964221E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85903130E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.98781914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57161560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63730199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90587683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38223133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65292999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.94367647E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27730375E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02475501E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43062316E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33718011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94903608E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98772656E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73329804E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69730148E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27334189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32069799E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67419731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02724192E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09462199E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34448574E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07422990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78865734E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10651536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36702129E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.49875377E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14810912E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12071779E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.54435959E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62392007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.11852315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58277942E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14795285E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.16345120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28354886E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.75540311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.11593617E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.81660004E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63157726E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.49721600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18902490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "42": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83058379E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09275156E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32985625E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47536507E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03889211E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44671709E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24388723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81010769E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96991676E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46322794E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78328455E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73406997E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33230130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59526073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75941755E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41776411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52952040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13033758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87015435E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96270368E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13525164E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.35953646E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02212236E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.14151971E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38269223E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66755743E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80248048E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55015578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32114883E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44360139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53847361E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01093462E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21059204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78587598E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02636224E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33412455E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.36260070E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.86959636E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71727603E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46816981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73102912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21406955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46937997E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42362611E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.61420781E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.51157705E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13119386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00855334E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.75480140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42226160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "43": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98243832E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.42123393E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41263189E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70748734E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11076583E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68873582E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33152391E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14789692E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10727535E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04760483E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04122752E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85077975E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.86079726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86174507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89190567E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.97460107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82476337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26456928E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.57723601E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00970508E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81047930E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01264534E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43124287E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76707871E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53562355E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15073580E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98090543E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27831599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63804352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58508516E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.20043622E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32951159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33497729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.26297210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10644282E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52385001E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.63039077E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.78961567E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98128178E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.47599886E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16801898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42034118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.47562051E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93085911E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19846284E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59033189E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56831772E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67189943E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.02895210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25818730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "44": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03812002E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60075871E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46399959E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86025726E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15963951E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85647285E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39296584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38641833E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20474722E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46440287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22680281E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93597275E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.21597041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03495589E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97916502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39892076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05221322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34939869E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76530492E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.10344257E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46272683E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00293551E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68472206E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.14839154E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62679393E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43300979E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08323955E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.68799503E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81212317E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65843297E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.54355943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48978870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42811912E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.64580269E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17028266E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67067178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.81059274E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.59575079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92507537E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.24651393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06142742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36211805E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15577688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72493206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12938004E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.27349293E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42057850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.71824286E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.33445740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90509460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "45": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14936331E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.86698984E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53427142E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06218571E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22303683E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07153699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47111213E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68792157E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32733027E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.98585898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45732886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04076251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67384737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26205521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09269667E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90764050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32319952E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46482930E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23436678E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65759476E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62654771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03619863E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06381666E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.71821328E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76291546E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85501053E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23674234E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.30649259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07796729E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77495679E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08816346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74867630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54256489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09194240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23961866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82710925E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.01980415E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.00795941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04262319E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68700502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.24883913E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44674853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.55265587E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90038094E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21821316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66483823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56775396E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.07020385E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07042480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15634700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "46": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22501375E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08868563E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59711213E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24932399E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28307222E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27805318E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54687128E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98222613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44757500E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04992384E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.68502068E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14462761E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.12558043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48566335E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20501797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.42145888E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59740257E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57990828E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69465867E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02031854E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77422908E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06570413E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34041481E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12852956E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85908587E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.14790185E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34157570E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.72179934E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25277199E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84788802E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.42960080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90097246E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63382283E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.47089065E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29882932E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95406796E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16997713E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.92813364E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01911419E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.58423647E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.19806432E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41645414E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.37983417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74495340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13953861E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.25395601E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36462187E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51330599E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17179810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67287260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "47": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32627709E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34385212E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66641639E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45181262E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34729495E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49717156E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62672078E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29062147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57293165E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10320078E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92032862E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25155782E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.58786723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71375422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31948630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94563972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87663809E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69830415E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16532998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06561021E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88743699E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09055856E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.93286699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.01125787E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06723381E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78726782E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57290096E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06527175E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65430862E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02833211E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27018045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31021780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78478971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02501633E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37585114E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12471047E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.41584638E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.92098491E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30197607E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.65820960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66241210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63442311E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.44068013E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30023570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41018351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.49023252E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87410030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79706341E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35676380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.70459630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "48": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35489719E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53264160E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72999067E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65687576E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41634628E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74258706E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71890494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65518177E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72396068E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16836154E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.21120410E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38463001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02064111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02571146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47549182E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06064166E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22885632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86296961E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03171999E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34596600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79366275E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34478577E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58689516E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.97835528E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29254070E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.47251192E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81904394E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16389591E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07928428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22257361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01643302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74039724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94121095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.59796223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45505666E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.29142644E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.75600504E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.90961058E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58204098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.71801469E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11992952E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84928640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.48920451E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84396304E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67489881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.71986470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39125379E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.12080159E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54575320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.86147360E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "49": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47385919E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.84746953E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81845148E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92160052E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50183486E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03830604E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82783592E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.07947323E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89756257E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24246788E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53880248E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53316236E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09014545E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37405939E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64745385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13185663E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60695039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03797049E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.97637569E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70387417E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30363231E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99791250E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52811632E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31102862E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48315297E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69249982E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16342890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50226953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08979898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96529293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24311921E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04552603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.93647170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08406173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.38431026E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88292155E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.50115276E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28549670E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21604575E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49566731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31845522E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.62844092E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57312214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20908676E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75825571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61040238E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12466116E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51079303E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50882920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.37084690E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "50": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52454474E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.06913583E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89030230E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15164594E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57917873E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31299541E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93090892E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48643551E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06581053E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31489101E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86133042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68053609E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15960596E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72055564E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81847965E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20444518E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99464606E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21813817E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96628933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06852767E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.81075870E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66623380E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75024680E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62827500E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16829182E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88575085E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81964315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75536358E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19641083E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44395323E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47637780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15612755E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49201008E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30932764E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.44728464E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21380094E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81775450E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87074110E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35467891E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.88072853E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46260893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.24965159E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86563738E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35268000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.48705608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97708822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30747793E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.38655350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84430760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.09867920E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "51": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.63134065E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.36845994E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97735147E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41778775E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66635891E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61734474E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04366457E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92710090E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24642723E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39205923E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20277009E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83575206E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23269536E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08236360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99592243E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27965036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.39705264E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40357154E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09988836E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44704564E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36768848E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27250760E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00137952E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98583849E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93385476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09933878E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53837270E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03065872E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31189362E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.96180158E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72946125E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27429080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07654083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54816358E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06056905E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62801937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28808970E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39100260E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49993943E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28185737E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61218619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.89311912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16808458E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50116370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.24046742E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35932073E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49989506E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.31672285E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21234800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.98754890E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "52": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60876438E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48185531E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02935319E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60649984E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73423633E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86865858E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14064360E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31765178E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41026858E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46339902E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52363087E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98384036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30289566E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.43051359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16829645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35535279E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80430789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59330173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20660620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84056038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09830964E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86945480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26468078E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35991490E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72803459E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31840208E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26824561E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30800651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42756809E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.47839168E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97970683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38969575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64134641E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78449372E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17847600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06494951E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.81746816E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81622530E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64872625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.69035378E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76389881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.54443007E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.47355997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65110620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.00141748E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.74770432E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69671413E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.27350979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59354130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00387500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "53": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76716569E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85780213E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13271716E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91444786E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83355348E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21146979E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26645336E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80519941E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60858100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54755208E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89378471E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15140312E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38182652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.81673701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35643795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43531864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23366317E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78850745E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31752658E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24888716E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26580436E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.56490070E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53817535E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74699676E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.54270467E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54055332E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.00086660E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58408502E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54196337E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.98648702E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22303175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50109163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.18477925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01682750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29734703E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51707219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13965453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38228330E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80142819E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.10725112E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91813939E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.20523022E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78288870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80291432E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77223438E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.14272362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89787537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25505789E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.98523850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23237630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "54": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79578326E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04292743E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19959406E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.14117878E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91258945E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49876195E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37589185E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24138595E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78988485E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62580877E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24292309E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31147981E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45745038E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18803328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53927479E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51571648E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66704355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98773483E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43153305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67400732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44011855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38533710E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81773747E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14212882E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36856349E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76346063E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.72894041E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85623880E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65397231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.48094176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45694513E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60788107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.70648406E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24418792E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41638808E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98205340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30222232E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06211830E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95959651E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.53672740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07645956E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.88217231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09925340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95816201E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.56107055E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54825152E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10524778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.27044060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39242330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51288890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "55": { + "references": [ + "dyall2009a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68419928E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18980184E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13233512E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26210348E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01195802E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05703979E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96053805E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56998282E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53680880E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84080566E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28172758E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97552533E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85230780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28932128E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44333030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25379732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50895198E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71419575E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18814233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54643756E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35368647E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88057238E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30668254E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65874195E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22338533E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68794750E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60395294E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.11403691E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76882809E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99557987E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69836616E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56615246E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77727290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24808163E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83470957E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70830478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30927539E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31972955E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98545497E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38364515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70307672E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76200270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.78294801E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70563336E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09816303E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40892555E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16459539E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.09062810E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28015640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.75322604E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.50712635E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15941202E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05894267E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.08524294E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38315250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06776607E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09235869E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30561828E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "56": { + "references": [ + "dyall2009a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69135026E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20875112E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21908096E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.59870904E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.14098597E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10732938E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16265510E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65400398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89819498E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00136666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35519711E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32015031E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01640318E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36783470E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.85138447E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46582573E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60287514E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22436037E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44204041E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69301170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08378872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35433888E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02287926E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54603122E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94599612E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08247188E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.55049701E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.46016392E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04569860E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71527558E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92423617E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38387377E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10641287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39076086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48896961E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03626404E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47797558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.28441861E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43669317E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60818329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73292126E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32371109E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00957254E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28336771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02508389E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13913448E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37019409E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.64271343E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.48233394E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06158806E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.90999707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.35781807E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16020581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.61444245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65873229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20882023E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79742212E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61936729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.53099028E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60275595E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "72": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87243620E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41747200E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23014121E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37667402E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81866404E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78398974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.94599764E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82709032E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19770887E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26033100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38671918E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11515966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33408344E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46789234E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23689284E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32869178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06199999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59522134E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05539380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44481225E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06982592E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76938206E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.15394996E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58677096E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17924284E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04973289E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97166590E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23354351E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13115701E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.37840415E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23196460E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24680285E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24178262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34433429E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09434670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15964591E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54996328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24423228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.03368783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85383465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08167322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26117130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.41138698E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14783426E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.74161471E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23277679E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87119865E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26122724E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37529808E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25369758E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96118835E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40215822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.50211299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.85832931E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01462091E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.36693168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.61593723E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43300251E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33440437E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.91613381E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23907453E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43875053E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.45958282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.80705282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12799602E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.85475487E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11953270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "73": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90224267E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43339132E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30499750E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40860425E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95238995E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83972935E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18138995E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92828894E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24216699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46007117E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47848878E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15823580E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54014985E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56744236E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28747806E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.59273050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18979924E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66340117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37889068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62115576E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14561827E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15254061E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02452703E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93051986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23819798E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.41609118E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.54185323E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35207978E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42422983E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02081615E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49791299E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34225135E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61859909E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50410598E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16580274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48814775E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71166732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32915558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44144291E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05646937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16517745E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.62120027E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02664742E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36038552E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.78970209E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39750237E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.29704239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41266965E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43817485E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.54023040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09895688E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47017949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.83553925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02518574E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08755428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.76593302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12421518E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.98169116E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58359409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.76728716E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.60567724E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61180870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.32100976E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23704754E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33572913E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.74766339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40593440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "74": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89486040E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44070221E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35631737E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43373452E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06548025E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88892006E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39513348E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02204600E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28397456E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65005292E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56656019E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19988485E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.74088445E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66527833E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33720973E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.85279739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31821033E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73209945E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70741883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80272419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22469783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53733588E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12566398E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23961480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30393331E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.79971658E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.14887720E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47921399E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73960360E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11009280E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78314170E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44416267E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01916443E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67337534E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24137402E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83671290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88291858E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41881361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86533841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26623219E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25130227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98501311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10731145E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55460066E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.94622170E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57423197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.75233417E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57425265E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50519306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.84571992E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.24602555E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54322894E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.19626846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20850876E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17362261E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17928550E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28319855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.46707744E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.82322994E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.58440682E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.95772430E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77787614E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.14859992E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.65176667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53726808E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.61430649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59256210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "75": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88559525E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44706943E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40419732E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45778202E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17541137E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93723958E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.60666531E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11531516E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32571409E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84018438E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65484404E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24168515E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.94265499E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76384816E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38725713E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.11444138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44881047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80205937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.04250506E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98997023E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30707491E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92741908E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22193649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52759578E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36930257E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.20757048E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80267194E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61694479E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.08211391E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20700434E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09173362E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55391672E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44861897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85423872E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32199249E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.21064318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06617748E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51454548E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31041930E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48552798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34048666E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.35588998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18513934E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73670806E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.12758458E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75641127E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02198342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.73969296E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57367949E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.15750058E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39607822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61776843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56543559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39798385E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26490901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59750744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44037681E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92458249E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.05940194E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03883228E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.30377829E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.94095450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.96137545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.06003639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73647706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.47139292E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.92373800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "76": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84125258E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44503814E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42839448E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47483755E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26379383E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97863824E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79516346E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20067941E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36467232E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02031757E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73946740E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28213126E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13960173E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86093142E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43663912E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37357275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58020956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87262460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.38274099E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18205804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39266806E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32460823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31531302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80245999E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43335741E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63097397E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.49564321E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76435825E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45053728E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31139044E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42347769E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67147514E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.90685097E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04668433E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40769039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61104476E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26176937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61640026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77606455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71420645E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43272601E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73510191E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26131810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91026232E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31428533E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94200435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06942094E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90704888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64280669E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.47164194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54714283E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69269087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.93709403E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59028324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35907036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.01883704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59699321E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.36773438E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.29395263E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11858306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.64688740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.10266663E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.76801688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.46633266E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.93549267E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.32851638E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17768010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "77": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86240443E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45733454E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49087581E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50308248E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38751186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03189396E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02552416E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30144272E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40949280E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.22342920E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83333232E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32637599E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35231652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96450409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48905039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64707995E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71687305E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94587421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73252373E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38075762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48134344E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73039215E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40696570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06848198E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49613612E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09940639E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.26349664E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92779539E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.85880292E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42681909E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78873895E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80021216E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40603962E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.25551719E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50051704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04777000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47383843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72631715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26900882E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95518753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52857591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.12544673E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33700784E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07844370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.50283372E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.13017941E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11732959E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.07553432E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71223925E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.78654744E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69841212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76754303E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.30876302E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78391760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45512934E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.44288137E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75374449E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.80308682E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52899412E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19840640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.98999182E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26437753E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05750412E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.87368019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13564606E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.19145346E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.46251920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "78": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86523222E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46509179E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54024629E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52743078E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49936115E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08144309E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.24407556E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39837555E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45305725E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.42240054E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92583522E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37018241E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56384276E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06798748E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54143442E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92090504E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85527318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02016600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.08793459E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58422757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57298428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.14480876E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49761303E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32813552E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55796681E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58812096E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00793453E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10295974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29831050E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55123428E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18167400E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93817750E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93881697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47772944E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59917370E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.51490188E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69898833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84212154E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78007220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20472312E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62738023E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52530577E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41228970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.24167938E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.68917500E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32044309E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16558301E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.24469348E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78178267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.10128713E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84941157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84205784E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.67894135E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.97790975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55252941E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.86934064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91099852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.23450255E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.76572611E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27871037E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.33480736E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.42690393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13864676E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.28400791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33781163E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.06397634E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.68636660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "79": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86641871E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47205722E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58655973E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55076534E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60812627E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13010156E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46022108E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49471948E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49650967E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.62133979E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01847450E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41410537E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77622614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17205973E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59406918E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.19614087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99569716E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09561152E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.44951963E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79255281E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66761501E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56928335E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58858219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58685362E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61949986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09851036E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09449144E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29019969E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76987962E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68483838E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60271592E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08541062E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.50485039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71300001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70343965E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.01063283E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93569179E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96270954E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.30521856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46130136E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72888592E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93419480E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48736933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40065837E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.87146054E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51257515E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21412561E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.41432592E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85135061E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.41544342E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.99992280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91611025E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04686529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17163911E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65092857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.29799134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06895064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.66372984E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00441892E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35960199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.68188195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.59058138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22043037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.69842522E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54253879E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.94858020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.05376020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "80": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81789967E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46710856E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59876991E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56383633E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68471673E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16831854E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.64143439E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57904821E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53573459E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80514197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10564267E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45606171E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98194852E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27448739E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64619814E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47070334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13869210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17300519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.82788094E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01282867E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77097518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.09487289E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69475032E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90513996E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71176372E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66143432E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19297811E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50675102E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32093964E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84199043E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09949117E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25926161E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.17326364E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99115070E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82712699E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.60479214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21475712E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10334669E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89786639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74702233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83719031E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.36726823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56557324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55705435E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.01127314E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79968951E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28668689E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66880202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95626062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.89419813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.23148375E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03451499E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.63959419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47359426E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80241774E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.01705130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36689729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.49018613E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.24155820E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43982705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.02529845E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.75231004E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30107081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.10672932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74486516E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08471151E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.40593950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "81": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80338285E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47025619E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.63555754E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58527398E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79246257E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21879438E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.87307796E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68480778E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58432979E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03105139E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21218877E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50707828E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23010621E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39805146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70939014E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80173226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30162250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26098628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02665686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26482246E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89889444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84613719E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01065745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.32370907E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91277593E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37282646E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35721283E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23566782E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36290763E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01480894E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31820210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78798622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90284415E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.15022877E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69676016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75043773E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.44562670E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20432285E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11720749E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01075987E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90314928E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96328877E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.05496991E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00496286E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.59278837E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14312811E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.80668020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53461202E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.01015229E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75502849E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71843268E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.32163373E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17508976E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11097058E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05041178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.14706485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34214699E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03451933E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21552202E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50267783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10356483E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.89995595E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.66331967E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.99800850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.21750898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54175772E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.36995778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.40866133E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41384687E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "82": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78790468E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47277856E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66980788E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60593717E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89847781E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26912673E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.10631045E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79208693E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63391338E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26252891E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32169850E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55964749E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48637891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52613276E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77504674E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14632745E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47101722E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35272879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07214573E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52715061E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02746272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.62040984E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32944034E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.68598864E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50419695E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44315847E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50743314E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60444246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46372787E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31579089E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41524402E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.12587435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03021930E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66820906E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92148422E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85356353E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95192825E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44857645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24228444E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06751765E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.19177307E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09083067E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.71717990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16745290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58254189E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67280721E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06108755E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73011313E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.67314733E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02389437E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83970261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.91221384E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47577918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27108628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13491680E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.59531052E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58639830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16289182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.85219166E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75459932E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.57726242E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.20138448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76510085E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.43430142E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.42407420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64610261E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.90770330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.68433522E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54783108E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "83": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80226841E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48197988E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72238743E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63218333E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02327402E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32625999E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36570190E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90989196E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68788402E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51276737E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43938033E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61581494E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75851541E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66121900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84400480E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.50651171E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64662683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44772899E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11901610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79784882E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15870772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04226135E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65908662E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00734400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00281802E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52678508E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68636941E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04560600E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58483354E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67858698E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53250769E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53455235E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18424309E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.29423926E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19320068E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97851207E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.56967864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74356303E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39296309E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13516041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53461227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24108719E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53174998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48293103E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79158225E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13172095E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14563420E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93479123E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03643045E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30323545E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96540411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.52357533E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78674481E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43647577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22239217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.06071971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84128694E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29733557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52008084E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02232067E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.96834540E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.51023047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86924359E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.88015411E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.63519861E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75278866E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.45836180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.96752275E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.68654417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "84": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83099270E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49430679E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78316183E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66076999E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15531036E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38575062E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.63301741E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03038171E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74276022E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.76599981E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55802853E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67229646E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03189111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79694900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91317460E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86768775E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82455671E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54409112E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16672459E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07428396E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29230811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12470444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99794160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14926500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47359516E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60947307E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86516751E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48913936E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70700193E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.04504867E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65086424E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.94571483E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33841649E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.91719770E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46207589E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10147178E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01715388E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02831330E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53679474E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20014535E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.86779855E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38995036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03602518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82313749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.04113582E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56072955E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23256609E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14433523E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10687289E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.58688520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09270647E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01414646E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.10053207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60297016E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31054355E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.53090018E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09916893E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43365559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.19815647E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29483247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04070040E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.82612869E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97561084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.33493584E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.85056868E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86165214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.02103234E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.25765078E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.82952431E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "85": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84244092E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50209341E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82965478E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68476525E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.27250219E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44042340E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88469174E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14580280E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79601077E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.01410800E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67511528E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72833709E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30437479E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93276071E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98241093E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02297017E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.00479865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64182357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21526000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35636699E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42798951E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20909391E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34586720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29471622E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92682625E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68580977E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03531193E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.91745658E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82596030E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40346837E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76678260E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34774612E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48856435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05207443E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72117514E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21927629E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07421196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29690220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67152734E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26155116E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.18686221E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53471710E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11839341E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17263922E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03102418E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97478162E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32162902E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35817578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17845424E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.87406344E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22124347E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07639309E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.41610092E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77000451E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39904848E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.00395005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35866386E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57110943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88260345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56992818E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09389179E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.14902927E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.08417199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.79848050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.07008509E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97263216E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.59533206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.55444773E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97652644E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "86": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68476598E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46794059E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74912556E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66787655E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.25170530E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44681432E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96160398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.19595350E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82417354E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.16322270E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75224966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76799035E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50979574E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04118111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03907122E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05354324E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17227450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73375318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26282083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.63534680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56553897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29475083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70279586E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44373172E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43919447E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72824122E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15641728E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.25282723E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92412503E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.70898829E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86765023E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.70190435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62169163E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10574454E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95179408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32404364E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12459428E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53557248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79136374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31728352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48261416E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67263353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19863600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52585561E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15893147E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45578302E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41613025E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.58429411E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25385658E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.17561771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.35591634E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14150621E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74581199E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.94435853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49162359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.49983429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63156854E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71598621E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.60663337E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86675318E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32356919E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.47900273E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19493865E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.27081990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.29375191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.08572780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01812229E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.85784113E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12743536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "87": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69630961E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47558891E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79624375E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69317756E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38004941E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50854751E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02530484E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33247507E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88833063E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46686777E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89744796E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83823557E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85366034E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21553074E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12904353E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10053812E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39654059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85668194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32689507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.00408107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76305078E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42154544E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.37356599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90085430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82410150E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02896085E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39926505E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14802745E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23329240E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40212227E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06185638E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.91488445E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.84782509E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92886180E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05235754E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09333750E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71239751E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.62025844E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56063114E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72502876E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46581820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32526640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19919582E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10856262E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61918066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59914486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20920922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18671296E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58679899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53141920E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64324832E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08516860E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36577524E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54755674E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.89833144E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35839627E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.59356427E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54268509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23206033E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.20574287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18981161E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62413605E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21563086E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03627378E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93090740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.71728483E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43448617E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06983930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.41664157E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17267788E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.16350256E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.23759816E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.05140277E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.97658782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.73487106E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.06508071E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "88": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.67637283E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47473626E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81458493E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70814693E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46988075E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55558345E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04868766E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44572527E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94280377E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72914089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02452913E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90036868E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16102724E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.37236561E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20994006E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14300942E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60735235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97245603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38736287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35650255E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95126588E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54167596E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01211866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33055832E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.44820730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84469094E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04973308E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35340776E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35291535E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72784723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15414820E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19411807E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74623317E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23449668E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16213192E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.51126394E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88174375E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.35008097E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89178526E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88234555E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.20490997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67705333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37185370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18258839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.96621348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71455800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26297704E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87116998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00470111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26698430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89898944E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89168347E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86647304E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68317969E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22106331E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46531752E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01921002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73236053E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32378229E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.67065795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43712613E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75771370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.93708340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.44169368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14602412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.83370577E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98910725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.48466962E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59010654E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.74557142E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.28282828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.63247773E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.45934069E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16335598E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05563161E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.03560248E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21537389E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "104": { + "references": [ + "dyall2011a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43776608E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44112314E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86780367E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80660109E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23637052E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02144579E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30614515E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78823343E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62410875E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21358422E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72036231E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74633423E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34348495E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.58373577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35613787E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75784000E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.00473702E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83954721E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34553142E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30539546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92450208E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12046322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13245906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15527786E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09775767E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20892655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54558300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42530284E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19326116E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23363541E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66668479E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13560768E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26609116E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61497270E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.95895657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02149447E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72024978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.74341517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63918740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77154011E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.93304316E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60633066E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31437267E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21213084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81687564E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81325755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10116802E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53081283E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41490828E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90381015E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02264450E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.36244094E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.11206481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71167072E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08159684E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.80816280E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29844293E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14964130E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.91677650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04593460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58135035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.07766975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02028359E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86433253E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.94567782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43406338E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.47158437E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.77944187E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05966202E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.54997022E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49176136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.92095969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37084259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67222944E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.23133872E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.90180233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73765689E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.02848600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25986687E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.74287040E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "105": { + "references": [ + "dyall2011a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38980770E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42917273E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83246033E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79660736E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.21725563E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02410234E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31235182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83701838E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65497953E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23131909E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81762169E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79841418E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37129782E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73599825E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43765231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80234159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26368064E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98453108E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42367263E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35183359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18216293E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26689294E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20134888E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54625552E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25128690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73134170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70027091E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49981840E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47528186E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32977141E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.99648640E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25122614E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.68198699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76864629E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05433868E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25174078E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81499925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.15239545E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82439878E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86634039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.38405940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.83279431E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42157649E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26816737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07937011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94868590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16339869E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81685127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47519910E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10240428E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65334349E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.52006067E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.47295248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82523166E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12455257E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.99149705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38366061E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19155392E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13198163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.15871218E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64192841E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.40642943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19705777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96202621E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.44952529E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71084979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.64658582E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31497973E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16487050E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89649759E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63907961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.62191215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.73375839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86568774E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.30608432E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.48750926E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.04739355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.59070815E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00657920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00560300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "106": { + "references": [ + "dyall2011a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35457160E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42038613E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80629769E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78908860E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20276833E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02628125E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31733990E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87641358E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67999728E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24569500E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89639608E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84064438E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39408614E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.86372381E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50703666E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84095366E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.50202800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12018661E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49918732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39704918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44093845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41440849E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27145724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93279077E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40064516E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23186239E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85892403E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56469499E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.73702922E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42137713E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31583532E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36438412E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.09199260E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92084499E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11234936E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48023335E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90880752E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.55585695E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00627339E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94642941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.76826570E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02641205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51584550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31820471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32330727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07671723E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22495208E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09437648E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53447241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26939117E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47478640E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68622454E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.85285568E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.94450425E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16956213E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18322372E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47264343E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23527553E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.35641910E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.27647519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70521073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.75096102E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38292571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06578323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.01155450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99021849E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.77565490E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75262874E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26397633E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.22192761E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77684551E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.27686079E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.07237915E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.04611174E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03043416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.03521945E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33988257E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00838060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.70829815E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20361670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "107": { + "references": [ + "dyall2011a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35507027E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42096203E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81119463E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79281032E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23213634E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04642763E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33004164E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95005647E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72065853E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26736090E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.00960469E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89920235E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42453388E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02677528E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59352881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88793509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.77078898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27077928E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58001806E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44518524E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70497740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56714132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34341918E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32066161E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54841657E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72318509E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02078933E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64627625E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.03618643E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52304015E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66526409E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48719085E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.53449741E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08438764E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17442208E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72355251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00813869E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.98047401E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19645910E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03619418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01941261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23942117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61849525E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37230328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58445536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21433762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29071547E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.38665291E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60340451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43052815E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36559716E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85490615E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.23775108E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06498329E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21487971E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37570307E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56174264E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27896664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58024740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39371084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76820146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.09330790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56779144E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16975636E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.58625839E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26583722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08697774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14849756E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35744006E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.52790127E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90587875E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.88963896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.38843044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21435319E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12322035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.54647777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.61453156E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14948649E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.36150229E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36277810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "108": { + "references": [ + "dyall2011a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33210010E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41526206E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79441748E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78820631E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22672032E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05154593E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33613628E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99445618E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74827170E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28314375E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09598308E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94541486E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44932608E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16455784E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66801926E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92898651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00227500E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41433178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65930879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49266600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.97071717E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72158524E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41716364E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70970687E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69594216E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21167181E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18588372E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71337198E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.30602203E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61823444E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99987855E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60655850E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96907275E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24613275E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23607445E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96560647E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10687823E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.40159925E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38444101E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12451766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06126490E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44838498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71984570E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42584595E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.84538912E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35280046E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35754972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.67905360E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67224568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57730903E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27123196E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02425855E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.62336266E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18530793E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25998307E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56666523E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64988073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32208375E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.80055277E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.50876210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82999098E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.42795824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.74849296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27204972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.16088456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.53675418E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19394440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.52235262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.44773097E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.82252239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.02968175E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.47684794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.69054316E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37503048E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21164248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.03493324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.87795003E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28540448E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.98520298E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54169620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "109": { + "references": [ + "dyall2011a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30946466E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40958618E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77725442E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78319576E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.21848951E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05512018E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34150131E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03571988E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77461638E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29843098E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18052032E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99097572E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47389632E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30184287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74243429E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96994383E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02771070E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55996795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73958264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54087461E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23972718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87921182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49315669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10375819E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84449475E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70330956E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35494229E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77896114E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.57459048E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71399469E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.33909475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72825992E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.41395171E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41214757E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29942595E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21417831E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20804024E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.83155630E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57554506E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21385916E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10347260E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65850840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82195018E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47977289E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10928205E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49348457E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42576968E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97363744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74151237E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71266594E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.18199117E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19397533E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00089931E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30526243E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30479138E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75576267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73689519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36454366E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.01687889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.62134659E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89041566E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.75385232E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.92434588E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37204884E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.73125526E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80314345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29894519E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.88184520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53635569E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.11089914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15051418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00493488E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.98446248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53125927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29750686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.51008289E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.13496288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41848229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.59300515E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70384250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "110": { + "references": [ + "dyall2011a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33254315E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41589924E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79984265E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79245430E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26443215E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07977028E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35526095E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11112696E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81515762E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31972344E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29076929E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04764578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50329578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46015677E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82673311E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01574261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05483617E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71388497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82377597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59115206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51524990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04203523E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57169759E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.50574382E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99521117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20328724E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52918272E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86994832E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.90251766E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82590439E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72660471E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86537548E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.91044553E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59609860E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36919379E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48627065E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31805338E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02959628E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78053027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30900464E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14810012E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87943436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92883374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53597727E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38334820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63980578E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49634610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27534756E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81325893E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84149215E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.10008893E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.36384173E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03941689E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.42470712E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34925607E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.94280714E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82271035E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40631592E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.22912115E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.73143784E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94947650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00710469E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.09530918E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46947963E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02954652E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06534167E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40240866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.23177198E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62439207E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.39654991E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26988553E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06142996E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.27395571E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.68506385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38196370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.97793069E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.38861178E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55019791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.19294980E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86550310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "111": { + "references": [ + "dyall2011a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32129985E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41313127E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79173426E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79031949E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26504373E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08591303E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36137419E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15480604E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84244877E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33542060E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.37700107E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09376409E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52797262E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59735023E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90090348E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05628673E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08046938E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86189612E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90654036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64086385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79291309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20681808E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65252531E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91412153E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14855732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71361327E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70864352E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94026210E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01874223E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92796108E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.09043009E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99664131E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03922974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77635232E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43800005E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75554568E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42701799E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07554532E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98286614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40259765E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19201098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09665041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03455711E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59167038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65717326E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78661608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56768753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57714537E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88398480E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95912697E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.01907320E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.53434322E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07800186E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54400666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39351868E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.12841443E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90761753E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44754272E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.43800115E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83939580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00734834E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03804576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.26181353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56430406E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08523916E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32348453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50448884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.57434954E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71244896E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.68148977E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38867118E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11758322E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.56118854E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.83760384E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.46567359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.44198729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64072029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.68146897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.79010700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.05238710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "112": { + "references": [ + "dyall2011a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27628405E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40133708E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75183492E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77517500E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20408639E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06113824E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35162724E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11720022E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82791692E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32972816E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35518513E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08595607E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52608657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61051354E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91261106E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06219260E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09447393E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95888420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97041859E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68158795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.06273324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36715451E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73867578E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.34970450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29903056E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22959771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90083815E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98896980E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04256771E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01899505E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.42691288E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12091660E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08559324E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95177966E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50548547E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.02084729E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53455319E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12087285E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18211737E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49451329E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23518192E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31016949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13913337E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64685833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93074448E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93382507E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63973946E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87916658E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95385072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06608715E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93886778E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.70596694E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11676755E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66352513E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43772105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.31321294E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99192247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48838236E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64440098E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94573523E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06431961E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06838268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42477673E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65674353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14018455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.57792462E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60543325E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.94466003E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.80084798E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.96677839E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50733614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17361771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.84736975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98953279E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54900287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.90406620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89215028E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81266297E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.38615637E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.24177900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "113": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26564207E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39866817E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74422515E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77365178E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.21158475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07295461E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36171416E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18619002E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87076767E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35459317E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49347521E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16091577E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56640294E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82892664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03205829E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12975482E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13031738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15748622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08168254E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74596207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.40649632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.56996553E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83861196E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93962268E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57722155E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51258475E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83512150E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22950772E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14195506E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38548142E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07780748E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62617690E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27813994E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70083150E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80335129E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23642488E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04722041E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34609780E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.21238577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97454758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44471995E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.28158737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55970861E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84700824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78221533E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36436593E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80752239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.63569979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23571621E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49490045E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.20016250E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.11290116E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66859908E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39220281E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08768842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.08703746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28499285E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13339353E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10374338E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.81724949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06216577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63711945E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.52644077E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33515906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10433759E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.58005214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.99541705E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49209297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.23860200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29101515E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.29840881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.79894990E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.33836896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.05824687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.02169215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.96237638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.75970910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.14831388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.42948503E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "114": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25502639E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39595194E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73540204E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77067315E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20542815E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07470753E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36535866E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21737444E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89220455E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36768679E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56867354E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20255515E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58931895E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96091240E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10483800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16908478E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15644477E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.31209060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17161143E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80024256E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73072229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76363329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93814058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.54669754E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86374137E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07521373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21291140E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28248145E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16539717E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47376142E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11041385E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74684888E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32320817E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87108090E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86846501E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.48927959E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14764942E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38726175E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.38739584E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05193815E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48004065E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45062744E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63892502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88902011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.97228497E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46826548E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85130238E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.85413909E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18861843E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09423019E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29943290E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46077358E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74711158E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63264536E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17573481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.45254444E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45092382E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21401105E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14479054E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.03368457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17718763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70024067E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87166791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.52530825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.20707128E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01493811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.29553469E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61789962E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51817250E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35864531E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.51803345E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89101027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.77131238E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.27786264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13716351E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05894354E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.09611076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.32511881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.31317463E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "115": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27716144E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40183307E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75524325E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77809769E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23967370E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09280864E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37600124E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28046699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92903043E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38838077E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68134579E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26243412E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62105900E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13470672E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.19940640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22127358E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18708746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.48872165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27179656E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85990233E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.06637472E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96566370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04003435E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01772027E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16405429E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20026752E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57013710E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34918164E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19496194E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58591482E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15223503E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90329429E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38232687E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09730225E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95623370E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.83558761E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28762007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44574490E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64103144E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16618543E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53305357E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.70867381E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76643092E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95553550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.30698171E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65188068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93992868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36628356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41153965E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02069403E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68164390E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.89160022E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84439609E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.93073054E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28492725E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.90628169E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.65712715E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31443508E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19601763E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.30468393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32158051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.77974545E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.31155755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.76967207E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34357067E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08804086E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66643181E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76404306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98283780E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42553854E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.73475164E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98163904E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.19700000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.49363423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25058281E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12049794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.42672660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49940949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01858987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "116": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23395635E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39042308E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71663685E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76377617E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18589017E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07335338E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36970937E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26396175E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92750025E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39042228E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70288368E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27766374E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63087763E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20370801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24028714E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24257275E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20648388E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.61447606E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35432929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91090728E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.37631555E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15488955E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14108026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08035187E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47368104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32716064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90857190E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.41478101E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22444768E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69876288E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19459836E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06258118E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44274530E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32907112E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04626398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19071685E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43086834E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50538611E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89856467E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28166812E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58651064E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.96804421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89427462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02214028E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.64080707E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.83575422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02868007E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89231478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66801723E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.97707589E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02401690E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.35091124E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94803968E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.24777184E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40079648E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03866895E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.87503404E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42041207E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24999999E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58998208E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.47378902E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86358336E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.77729485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.02893584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.48933959E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16591219E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.05800523E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91490581E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.21776100E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49214833E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.95004732E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07147264E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.61846084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.70708711E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.36274420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18132991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.75382195E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67230702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10531308E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "117": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25589660E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39622807E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73580777E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77055155E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.21438834E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08728868E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37769819E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.31102557E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95481902E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40571584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.78665037E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32284017E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65532803E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.34251093E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.31714084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28450220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23329160E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77383376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44769397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96687234E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.71913239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35865868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24658072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14580781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79419796E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45755955E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23551340E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.50079474E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25887001E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82527515E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24107592E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23497767E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50750108E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.57553472E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14132811E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.56301977E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57984955E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56686094E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16151398E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39848795E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64014961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22626489E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02034342E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08756913E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96460376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01432190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11448402E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.40561230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93186959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92968449E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34310560E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83574648E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05729720E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58130697E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52237884E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08894908E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.10258847E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53088086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30617020E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88645118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63215132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95080977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02633964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.29989718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64229268E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24755275E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46674430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07169726E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.19822830E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55874574E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.16482517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16090441E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00375884E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.91918626E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47415547E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24172009E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.07887380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84454763E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19184727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "118": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24543434E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39342753E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72586931E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76655977E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20004310E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08342403E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37804335E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32550050E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96875536E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41569741E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84986815E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36021593E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67684236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47152669E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39087321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32521218E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25971789E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.93405284E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54206791E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02418111E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00527536E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56202638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35158724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21100065E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12227893E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59031719E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35402970E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56226785E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28729373E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93590515E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28310998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39439154E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56830707E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.80943914E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23217925E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92013696E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72283531E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62573603E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.41242740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50951511E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69104303E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47054959E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13905180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14933937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02679675E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18229819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19602479E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89384744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19468837E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.86706817E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70144270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34050542E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17092956E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.92742965E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64817876E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14081718E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.33672197E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64430103E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36373690E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.18993191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.79447993E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04023819E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07633686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.57883329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.80009817E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33179571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.88745938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23304938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78787900E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62557486E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.37987566E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25026762E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04559255E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.13069042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58520536E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30188065E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.40298978E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.01668444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27846072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-av3z.1.element.json b/basis_set_exchange/data/dyall/dyall-av3z.1.element.json new file mode 100644 index 00000000..98caed63 --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-av3z.1.element.json @@ -0,0 +1,450 @@ +{ + "molssi_bse_schema": { + "schema_type": "element", + "schema_version": "0.1" + }, + "name": "dyall-av3z", + "description": "Dyall's augmented valence 3-zeta primitive basis set", + "elements": { + "1": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "2": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "3": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "4": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "5": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "6": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "7": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "8": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "9": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "10": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "11": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "12": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "13": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "14": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "15": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "16": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "17": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "18": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "19": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "20": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "21": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "22": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "23": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "24": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "25": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "26": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "27": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "28": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "29": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "30": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "31": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "32": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "33": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "34": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "35": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "36": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "37": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "38": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "39": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "40": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "41": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "42": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "43": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "44": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "45": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "46": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "47": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "48": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "49": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "50": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "51": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "52": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "53": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "54": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "55": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "56": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "72": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "73": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "74": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "75": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "76": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "77": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "78": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "79": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "80": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "81": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "82": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "83": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "84": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "85": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "86": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "87": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "88": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "104": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "105": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "106": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "107": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "108": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "109": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "110": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "111": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "112": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "113": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "114": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "115": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "116": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "117": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + }, + "118": { + "components": [ + "dyall/dyall-av3z.1.json" + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-av3z.1.json b/basis_set_exchange/data/dyall/dyall-av3z.1.json new file mode 100644 index 00000000..6c50010a --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-av3z.1.json @@ -0,0 +1,89458 @@ +{ + "molssi_bse_schema": { + "schema_type": "component", + "schema_version": "0.1" + }, + "description": "Dyall's augmented valence 3-zeta primitive basis set", + "data_source": "Data from https://zenodo.org/records/7574629", + "elements": { + "1": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.01657212E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34649031E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05473364E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62453493E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80494579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00896460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91394822E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60426029E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71243724E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96180790E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23551545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93467565E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16556619E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.72511884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10724152E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "2": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40072588E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59090341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.16292739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30932047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51215959E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67601960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00126018E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84736372E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49139365E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96762513E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12853138E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43108867E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06765768E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95612906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.33588733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "3": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06973312E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54595264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02740411E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89586956E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41196495E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38684376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31505511E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39211605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29034885E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.97331831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.34381553E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55490423E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46707438E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06434589E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08478086E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99431320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67746425E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42782545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77535311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77240546E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.30116131E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22478016E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45878375E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85796104E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.87090703E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04231736E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72589792E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "4": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83205813E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.57491851E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93049738E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42828734E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76151050E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.33348080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46053217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01303767E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35324355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93804832E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71465714E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47833689E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01026182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13322544E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48671826E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09713585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.64448228E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99814660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04950925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04947150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65880377E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96137454E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92979655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.38302109E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04771923E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.71919015E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94872657E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75770038E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.66942695E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12974433E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "5": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93788253E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30256081E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91729099E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.17438240E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64585452E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49405228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68250561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51497839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52312620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92666937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34129377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40073325E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76036838E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03056262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52888838E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97655497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64212537E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13895437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82762281E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15187932E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92743428E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21335758E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96664366E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42110477E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.35833271E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92979801E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.70177412E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.29163721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62919094E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "6": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25637995E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81272742E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03580313E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12628251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63455675E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30098662E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03486990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06663353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.87806696E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96889579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81289482E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57728142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62134214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03834234E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80845491E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04771299E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46395646E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.74747276E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78836296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09850897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.47609037E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82091560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22603733E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37407056E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03556881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05919990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.40448811E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.21638135E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29788622E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "7": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71695092E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44953145E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41696657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50480183E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83958367E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72764044E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67046428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73213278E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17083422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.20267195E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33614567E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02717148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60512780E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42291190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14772480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46219090E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43328856E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08245932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92374865E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55057907E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29000400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52351112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78127520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34953716E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56793871E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56143189E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45843916E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02136377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.36667695E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "8": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31109552E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25648035E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.14764591E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97541170E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32914299E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25272175E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67708707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54739807E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51764440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71690551E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97334060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18562343E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74294339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86470896E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.58617071E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94301648E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55312788E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43777974E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23568979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07194422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37152324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32239815E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26399016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38889252E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23798726E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.43284985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17751133E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40715844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.86905176E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "9": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05576627E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24923032E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25137786E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54260776E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11301689E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87846079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10594336E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51297401E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92801206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51146147E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73474292E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51152861E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04849945E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36723371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12810867E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49295846E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82791101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84180600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.72731462E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66363529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07244326E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21897646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58072874E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49964980E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04464288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.66404926E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02518537E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88500537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.92958603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "10": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96947614E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44443048E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17525108E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21089589E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02006148E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60686567E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38211221E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.62889087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40137989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05814807E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61947110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88234675E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52704176E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93186695E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00310413E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11489673E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26198672E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29555900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.40148544E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32657461E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33518856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21429760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92869104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89152166E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98165568E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12359377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20284680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47554062E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.86211790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "11": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12411711E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48138260E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11575176E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35793261E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61959305E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16853842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48747556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41535588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04056479E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68077529E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22022418E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.45495305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37672722E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01638181E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.31653097E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69635066E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66647730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10197855E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55060604E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.91840722E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22534651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20882492E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83480956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41479852E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.70193619E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37169137E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.79354668E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91848733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92778800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.48418680E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61912121E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46652179E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88802935E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.38236614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54959574E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34901424E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.23794995E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30056043E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.33464785E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.20690104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "12": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86922638E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40747551E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98080562E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32013324E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10055031E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42520656E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39199655E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18035656E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29536723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13567324E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90560039E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91564247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59243635E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55413972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67539997E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09706204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43688667E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65510457E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97564382E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05090031E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55223446E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73140712E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48700666E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03026007E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.24047312E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48271870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47685148E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13314800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16669594E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83267162E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93974241E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66112074E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15663648E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.14977385E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10791979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.03864334E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06557142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28034492E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.23794995E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.32965821E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02328368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.41845761E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.58425930E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "13": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61331085E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31186418E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.76439892E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77512990E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47170610E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89046782E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.11885559E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86814317E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21953792E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41539831E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49055108E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16165181E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.67403256E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07092561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.11699442E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42262347E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12347602E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81455638E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70034423E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03998302E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35924557E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45497969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76112956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12518394E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.80517072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07472125E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.86303251E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01277072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11022663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01002471E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10636269E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25083805E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08309330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.44257920E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.77036599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.68784052E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "14": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41530473E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27842169E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.65273727E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25314457E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90330646E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37345620E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90109368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57379246E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51523760E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71186777E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07892478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43205781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80409952E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61953632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17570346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52952454E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61561381E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79314281E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54257103E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30727960E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93795668E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.25086611E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42442725E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39753549E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99735430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61737833E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13832598E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99407219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50758517E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51126608E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78058409E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61743175E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53325537E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.23670830E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.21961182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09458727E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "15": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30723404E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34914798E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07248938E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77250805E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.44519213E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88995955E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07964097E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32091047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82719576E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07580104E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69682616E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71640797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01102009E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20986282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46219083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74738515E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14751786E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94037694E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36536722E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59142117E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54310170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11130593E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10893367E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67788335E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22366817E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17958502E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40517960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15448646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96730743E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.20155791E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44723029E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22607394E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07120534E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.45370125E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.24814897E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54616589E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "16": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31068821E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.54988506E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30311985E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34595703E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01354908E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45272873E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28508432E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12718005E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16258439E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53769447E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35767940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02044442E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30841798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84720189E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77267984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07267230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72231955E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12672292E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20386196E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87471736E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13696340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29246766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77090540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94765599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.39618076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71664457E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66216311E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.36076883E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45183674E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99840640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12511970E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.03950405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67732297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00532922E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.54654445E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19091396E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "17": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40636873E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.87149930E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55657222E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97349378E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19769041E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06326246E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50714473E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99586549E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52292903E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11047251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06486231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34566619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70034857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53336757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10778651E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.50704231E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34305711E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37854423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06839417E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15713735E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72030818E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46893921E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41173139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20711766E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.51214405E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22202630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89907772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55970929E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94516913E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08634057E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81500101E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00411042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34213688E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30062550E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.10734313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.34213688E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "18": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56667124E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29804024E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83141376E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65367591E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39689020E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72221320E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74628020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.92940001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90944261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27828896E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82130329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69343388E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11938854E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27141112E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46860868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.05354406E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01192116E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65005734E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11071908E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45656966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.33026274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65209498E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07339194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47361689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06493613E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72977240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12561764E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.74705661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44540373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27909136E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65717608E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22407920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06250457E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68265944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.99485367E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.09827368E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "19": { + "references": [ + "dyall2009a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70979584E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59285638E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22263806E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83397593E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46481197E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83091338E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71250139E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64371933E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10383490E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83677665E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20624552E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04111682E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05274919E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48524676E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12810253E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51016642E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70553708E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12056868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.21390260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33810977E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20407410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08176995E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02297136E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12857354E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64479759E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53330901E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85208145E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46425069E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96694702E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.96411185E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48832432E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60447892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.57563158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63397107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70328640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.09872309E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82073162E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77422040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.13683690E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18690952E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25843551E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02275849E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94815759E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56924634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.41992101E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83454480E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.72026651E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45591447E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13400174E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.83838990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "20": { + "references": [ + "dyall2009a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24633537E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42837862E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.00751943E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29634536E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84747793E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29259803E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39456034E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30105314E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37605488E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02118720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74354211E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29314154E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26431785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07018767E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39562991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88127796E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40174368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50403325E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26763672E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36765143E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68945740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33226125E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20740520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01269248E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66328142E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18730238E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25751342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58388428E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35412235E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.49455244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14963927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90867082E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02909007E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34940922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06108027E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.98365115E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.88868809E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39840754E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20321460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27043196E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00808590E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73705919E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59329056E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97367339E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.97722478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16309249E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25122551E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54500007E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38907420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.95815720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.48691880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.43863707E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "21": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45447409E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82136942E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91303344E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53975100E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59098442E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54409491E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31956547E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66621673E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52917975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69607626E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05317969E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44000837E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98040060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42478708E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56321259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74415691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84447242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71293970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.26954122E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80469628E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65621219E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83345359E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24910074E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.93254724E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41050190E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63613429E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.61329362E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70627419E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08756329E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74280229E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17982037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03193984E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97968369E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36835634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14814186E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61293764E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73740335E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04592373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44015183E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89251896E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81204065E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.15663262E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.70653467E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.99202020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.05339500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74691673E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.53699933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16875746E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27887870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.83821951E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65172171E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78537449E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.45197328E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73647022E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.56760335E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.84207993E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.83909460E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "22": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72762353E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32300748E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10634454E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84791572E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.52846549E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85996046E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04761523E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11910047E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71644571E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.50666879E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41824047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61019183E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79716207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82332700E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74866163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69401662E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32841888E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94244223E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36871023E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.29893642E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08977354E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32478677E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43587229E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.29960855E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67794424E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08215829E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81010886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11221712E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24587220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42005706E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48878879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17878346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69661782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71663309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31760469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41979719E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10760198E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16284658E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.85072666E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03416009E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02658985E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15545281E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41889182E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27448013E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.22392958E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27924283E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.99812579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.27648098E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74912833E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63265865E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21844561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63941223E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.01613785E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.83850370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.25222317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.02158221E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "23": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95584820E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76905464E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21166351E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13532190E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41379976E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16079568E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15830978E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.55412899E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89713594E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29339259E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77501696E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77772871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.60695704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22138282E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93465769E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.64862019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81647846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17422583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04694822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79289448E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20590184E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77555229E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60722434E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70662196E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97917644E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57648787E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01184487E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55190281E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41625098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.14558781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81869200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33522967E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.45871962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08572256E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49640435E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26506454E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49137031E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27833592E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24496899E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16608224E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24901056E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37270489E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06303942E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52221188E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.28078566E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75849341E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21954483E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.25350849E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15843824E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.16813754E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.66552865E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21852717E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.63713985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43236226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.19043852E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.02483041E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "24": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23722214E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30322385E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33715295E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47578027E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04552789E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51159501E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28638411E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05433598E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10386443E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.18979484E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17991468E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96701639E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51682025E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66534901E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14102942E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07019215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34888299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42049718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16329541E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30805738E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31924422E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21860481E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77480355E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12540611E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31772578E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12398785E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15479981E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02788701E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59951488E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92236071E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17071694E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50178036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26823058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47657993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68494920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.15083842E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89008038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39407960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63084528E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29182057E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46264607E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58607501E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.69480172E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76449487E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.31584809E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22721194E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43324988E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.19533238E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54849078E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.61006770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06454301E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72712177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.03969696E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81720280E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.49342542E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.85507624E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "25": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40822628E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68665059E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43317123E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74463790E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12935387E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79835589E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39243458E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47276433E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27830227E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.95219252E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52696670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13074973E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03141556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06228110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32952349E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16756228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85133651E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65918944E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27593658E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81427725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43108302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.63451933E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93067637E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51893419E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69702271E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72928121E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31074421E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54230499E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79629268E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.75246441E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54563063E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67874362E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.12651139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88985546E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88362446E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07953117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30504984E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51065134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01100222E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41277178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66831997E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80163196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.33217964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00846081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.35884857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69908810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64752820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.13343983E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93334661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10151349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.45077115E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.24318783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.45251458E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20292522E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.81531812E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.73114838E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "26": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65104363E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18786587E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55591169E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08643739E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23579719E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16116009E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52585746E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99617655E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49524251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08947152E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95334305E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33040295E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12758740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53304615E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54859654E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27948333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41766282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92075903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39866101E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35533250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54381067E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.06043670E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08896826E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.92304545E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12118421E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.39799601E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48076924E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09794220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00744729E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63895351E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94461240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86659529E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.03556039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32649576E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09293167E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00538481E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73757219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62856134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.38760048E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52994557E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.86476974E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02219425E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.98343248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25736942E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.42338924E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.18032277E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86534411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.08187360E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.31931010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24089509E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.82437441E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77682937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.91200390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.60133069E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.15294608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.65024467E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "27": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82208420E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.60689663E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66556157E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40045266E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33492420E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50240882E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65252510E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49736454E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70447802E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18087479E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36842904E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52536934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22187448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99779196E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76719203E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39162442E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98935242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18724669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52371795E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90892247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65899197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48969406E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24642912E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.32551231E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59453363E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13605026E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66600602E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69761164E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23382073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.58468781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36872923E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06576162E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99719354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78728981E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31316779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10744066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18748049E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74786653E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.76104080E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64373645E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.05303782E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24929513E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.65297567E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51294715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05166101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67412190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08822889E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04794544E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.70969286E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38050186E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19504685E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.33463515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14352792E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.01676166E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.51620257E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.63803944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "28": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09417454E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.15423112E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79983714E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77470371E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45128984E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89825079E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79771162E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.06473127E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93857560E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28212016E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82455518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73820181E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32415198E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49845610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00096535E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51095766E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59353474E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46552824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65392148E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48253345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77577209E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91899313E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40256008E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.72540705E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12190993E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94990484E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86766622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34433298E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47633882E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05929234E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81923359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27674802E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10135094E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27315103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54478781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21436253E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65600768E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86895927E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.13293631E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75481037E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23432049E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.48391727E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.34357337E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77626216E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16429265E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18245777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31711702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00360891E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10650744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52114902E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56610386E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.92057615E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30336632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.45236760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.92463832E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.74680642E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "29": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17836883E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47963329E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89703427E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07242257E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54918932E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24357127E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92770015E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.58342379E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15656545E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37795134E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26241548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94505481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42469346E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99623580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23612341E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63159981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20815728E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75100972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78750651E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07220205E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89582353E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35577026E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55957396E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01250113E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70798341E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.84614925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08701673E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04103966E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73578742E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16660415E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29694339E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49988133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20860387E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78498450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78821543E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32629877E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.14347547E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99182991E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50327929E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86331229E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.40770461E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72681961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.05733091E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04811922E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28056495E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.70680231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55270735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10495806E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51119083E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66339036E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.94103779E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.50612052E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45696848E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.85526824E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.42224313E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.05555984E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "30": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39435425E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99808344E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03487339E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47424182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67782093E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69008377E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09406092E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.24208227E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43119918E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49765056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80432517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19847238E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54645939E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59114037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51719909E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77583427E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94120643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10274932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95823890E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.88071260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05027372E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96124991E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81012871E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08377005E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44385455E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96245884E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35714451E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89174535E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05078035E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29636716E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87347840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76896978E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33827563E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.40959874E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08816213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46400045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.73631515E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12917749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.90937835E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97825650E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66493416E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17340924E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.36732102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.55293077E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49917368E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.72204198E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03683220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33336105E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.55414758E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09361233E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.21899577E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.36242615E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71948900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.64703612E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.03365893E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.09012380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "31": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55445959E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53805914E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19617901E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97356169E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84366401E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28039247E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31796696E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14019784E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80916474E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66331442E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.55624758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55009317E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71490540E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.40892083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91430040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98206909E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.99972969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64904841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24139583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03349674E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70644104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22830759E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23471170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73301970E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.08808822E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44309931E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65650470E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19291003E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53605376E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90707869E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.60219479E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06184271E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98041541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.77666289E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66475578E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16284487E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62156734E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06986778E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11755278E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99871898E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05737780E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92523211E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15654755E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.40247675E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87021090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.47094152E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.89826857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76032088E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.66908542E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14030786E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08908959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35917750E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.17685060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.48329310E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "32": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75343445E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02023082E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39819004E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.61845733E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06356833E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.07305542E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61881785E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03382598E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30984371E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88246484E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.55288416E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01557329E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93598891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46758326E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43298975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24480986E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13104017E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30652312E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57590746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20096394E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44413215E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59544469E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79702298E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47836180E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07773854E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69205977E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22981657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36598719E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15827086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15833398E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.70507356E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57599349E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23033382E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10288618E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27537145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46478757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11484652E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75937004E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42823716E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23725801E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68397030E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45122340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30971213E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.98968707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.12546986E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.66244163E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47315611E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03779022E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.94903250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90445404E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38367632E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.68835960E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.15897290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06878200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "33": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84037754E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04741635E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48021737E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.86570276E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14335233E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35442200E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72727398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07892387E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50695885E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97163634E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.97096621E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22025658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04068671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00200794E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72249319E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40440526E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21993854E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81855903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85054141E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35308984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22412844E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95986625E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35217158E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12841610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25921678E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95770521E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.83336399E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54573419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.79762466E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41444066E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08218676E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09372511E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48073813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22761324E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88544562E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76954531E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27234366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53033238E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76018660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52968218E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24395270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.24946231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54139147E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.87896006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51450329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14965785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37984525E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49289704E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12673049E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78844260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73973970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25591910E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.79380230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40405330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "34": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91257405E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08552012E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61077716E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30096950E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29512815E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91241162E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94328145E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16654357E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87830978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13558305E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.72184945E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.57532086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21313616E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08741085E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15373572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62925493E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33734473E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44316383E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17617127E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52559166E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06373017E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35390677E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00275324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77239600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44232694E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22428505E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43169807E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72167334E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41701325E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66053736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18875922E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58471891E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71705069E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34466258E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.45923055E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05885736E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42500468E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32247165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10016659E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.85965836E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78480230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.99466247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75672026E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.70179219E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87377103E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31862905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.21101127E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90745782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33269967E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74576990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.12553180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.99181470E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.62749660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88064920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "35": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15532200E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14812366E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79022382E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.85300079E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47851458E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.56472677E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19006342E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26519798E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29302905E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31783155E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05532345E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96619290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40148562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17991277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61745704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86921977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46201787E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10371231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51941039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70755420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95273831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76751762E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17878343E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40655380E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62032129E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48207234E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00386082E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88786464E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.99612387E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88874390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28688356E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.03364193E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93184357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45023649E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97509644E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32036019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56522324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10870265E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44061786E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.20998554E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.31367050E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.78600736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98442380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56941673E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25242088E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49677211E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.08866174E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34689761E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55224006E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.77301296E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53829111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.92830140E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.61019350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.60473320E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "36": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17991323E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17633306E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89878976E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.23363353E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61516067E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.07657147E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39150797E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34834584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65094954E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47770238E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12920507E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31866563E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57438888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26649609E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05799044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09998310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58358314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75114559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86196588E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89263435E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88241566E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19462923E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36130944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14731660E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79252643E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73044757E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.54946010E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04447512E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53632486E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09979671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37692414E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44218662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12578540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54446498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43056540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55041350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68783305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86733279E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77532298E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05671028E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94297730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.61271060E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22127617E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.46930426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64474259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68131637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.99833116E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80352489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78113476E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.84543548E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96354748E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23340160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.74331150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.60760270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "37": { + "references": [ + "dyall2009a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08767232E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83371171E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18347777E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62874001E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58642951E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05499075E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03135053E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30729427E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42545267E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.39369988E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97082409E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42407022E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01511850E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54004530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82344036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.52282397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87014426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58793768E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37806594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99803200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67443344E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91288086E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29378663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03569873E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88410026E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70047420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76439080E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89943874E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01896362E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33062703E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81779748E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66060143E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29430683E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85631990E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37338110E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51645406E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41072625E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11946882E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41413833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69585869E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35485131E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.83574530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45397456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73752459E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.17333391E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72813018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65446097E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.51815390E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36553789E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93866375E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.98776019E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68626962E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45065186E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17222527E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58380415E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.89820275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23604465E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59392728E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.00075065E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.01623134E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99203874E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.40111233E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.76509439E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36639330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.43202372E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42341944E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.13612248E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.95268640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "38": { + "references": [ + "dyall2009a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.26818774E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93389725E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61837344E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80350379E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29267831E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34628991E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26830327E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84858404E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66995286E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53303961E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51698704E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69279425E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.37083181E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23994238E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19183724E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14698926E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83858288E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11458074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66434325E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61012132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51896303E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35365202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08128826E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49446470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64687364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30234500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23524259E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68625194E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78092267E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17289623E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.61401273E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.80589089E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53828331E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.52410055E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59439007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35525531E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76177253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27773118E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16757439E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07052085E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54469033E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.90871380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06644462E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09840565E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02995272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94556182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33586520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28758348E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69974893E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60536749E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46811493E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64614044E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.71488437E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78633889E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.77953698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.65413423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80392165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.09551307E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59619753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30127783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10308753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59122541E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75087430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.68010638E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.10893002E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.56145306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64628200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22699972E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.78455987E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "39": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43512088E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01722594E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99876484E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96410954E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95741170E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62176475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04393466E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36307122E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90358422E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62642841E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04320047E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95201691E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.66807895E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89617820E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52648315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31716661E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69113704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56930851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90767701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.97363639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18773089E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70078664E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25681387E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46061267E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11633975E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.07281519E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50106792E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10399420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.27297485E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40608328E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.94368033E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77875807E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17377730E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80655136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15150456E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09206909E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42549780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86648635E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41538248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72092932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81245276E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53338641E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34584416E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15966851E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61795988E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66255173E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53703844E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14874117E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77366098E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82772740E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52810453E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38369680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66181548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.22286587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38199457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66119505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.29183202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.14141669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02271969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.06638979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81152694E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52033281E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.61996761E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78938255E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11534430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98128970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.34356880E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.11452300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.98465900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.61553000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "40": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41913036E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01961442E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01923777E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97382525E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.00801456E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64868269E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05785673E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43304941E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93797505E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79467206E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12673613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99497598E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.90117836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02877801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60405961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36370107E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.97803346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74041157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01030682E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05880331E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55744188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92544032E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39549746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18479454E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48296652E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04756548E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05773642E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32140536E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.57585252E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27496342E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.19159130E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04110973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87561805E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03330436E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99478042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43932198E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57989471E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.59322894E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77228871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90219280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.75195592E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02487300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60993012E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30273782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34720069E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00632478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07105157E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56921369E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91991897E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94941164E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.64333519E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.70169718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78002413E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.73282584E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.62162010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78020947E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.90076960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46389304E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19642932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.96447971E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31951484E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78369564E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.79901154E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30737419E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25470950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.73951700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73882860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.79609530E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.12817430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.04272500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "41": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30767525E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00104183E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98814705E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96971653E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.00780182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65151028E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05936238E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43771861E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93872529E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79256882E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12370810E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99321611E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89750313E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03361828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61232463E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37268878E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.04786621E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78372507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03604260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06855208E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69265584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02816657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45575066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41153959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54293603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.81041128E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79281562E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21201747E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.19232326E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09001198E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03607226E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28531763E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52149984E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23921398E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.75121154E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74751737E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71557231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22567032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07975585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05605013E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05399819E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44003972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83566379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42558496E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97381825E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30336506E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16647495E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90147042E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03587350E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.10708517E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57687774E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51473934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70954700E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.41335166E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.46446207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69558350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.42052768E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19974229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05263858E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.33490109E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02048782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63342997E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.12639417E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98415615E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01820860E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.91833210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.72777400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.33556320E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.77852100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "42": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.18593067E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99699637E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05526774E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01462746E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23841742E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76063138E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10994167E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.67302668E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05007645E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.33124218E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39001238E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12706196E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05780714E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38299679E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79325745E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46674080E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52482955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04021302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17464560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14337867E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11645850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27041272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59303796E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.09571039E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86493465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06707947E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10470125E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32696610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46577189E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13851361E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18709071E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60089746E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.35231022E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50218302E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.71143141E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13732017E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88698607E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02591794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46977280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25238609E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15277331E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.94498091E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09951147E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56553846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66467667E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62105632E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26317930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23241359E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14744982E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27587735E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70566193E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.86935649E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84119157E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.98119496E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.73102973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82769311E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.09288136E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54976916E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23439895E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03519349E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54213168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87647397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12932516E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25740995E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22376520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.58162020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19387330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.90566690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.30188900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "43": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33028930E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06262239E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35714186E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14608662E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80962351E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01006658E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22079543E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17605640E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28373479E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04399326E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92577508E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39037067E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18929570E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04883678E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13404169E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64167382E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43183703E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52926728E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44103200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29549498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89111323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69119618E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82681782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36864259E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53996401E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37415440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32676785E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81322390E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61441028E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.42548166E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37256242E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98728678E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36543338E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82196481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08769718E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60966449E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09426687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99226419E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94031666E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48959911E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27038246E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53816241E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40762880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72076108E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.40856730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95430692E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36016700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.55583764E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25219701E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43955470E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03741054E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77957239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17864368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.44732572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.42563878E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17887084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09360564E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.53665838E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77280582E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31884351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.99181372E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58207470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01956168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.45810091E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45234530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.43195220E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47731730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.58696320E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.86232110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "44": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.17858316E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03366447E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29674310E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13441297E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79886144E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01443954E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22416412E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19751238E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29776946E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05222850E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96862058E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41133341E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20003645E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11144722E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17398756E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66766932E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58485227E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61520538E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48671659E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31277302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.06188622E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80066287E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87889104E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51526064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52319203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22319135E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.66997501E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53337817E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96388898E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04758390E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52407113E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30134723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.17927213E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07469640E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17833842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97182981E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25119516E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07147064E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28772055E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66155173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35712811E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.99187749E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64999923E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85124813E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.05363718E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25210332E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44336257E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82788313E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34125463E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.57710603E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98609744E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63586077E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.12459562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.20082450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30306295E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11135636E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05397318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.30540561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62484758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24458045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.59221072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36138481E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.12490555E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75803865E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64059730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.94623200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64874400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.00670730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.35569110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "45": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.21003901E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05962006E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44610005E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20547899E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11533474E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15382542E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28692816E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.48079939E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42641166E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11250488E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26538253E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56423476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28081802E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53997949E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39988830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78515822E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16359229E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92166951E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64840342E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39721850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52756116E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06122152E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02608623E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02366296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86011047E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29673881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93318562E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62896757E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.19629902E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18290311E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71954400E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70655659E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02266956E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39856123E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29403366E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43283222E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45064056E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16331210E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72983091E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88144099E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46612950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.54937684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94260773E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00254525E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78321661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58030420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53197599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.11357424E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43126879E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71825903E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13858801E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.04979049E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27696915E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.85486218E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.60954511E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26341294E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13170176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71305720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.83610097E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35475842E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13480226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60946883E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01406408E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99945528E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86028500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.66866020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88955400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17513210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.91710720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "46": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11571378E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04156824E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40980911E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19982441E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11550176E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16023497E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29167561E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50874547E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44161884E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12038431E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30442147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58254112E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28892265E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57572815E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41803663E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79751444E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25139679E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.97949543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68662653E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41643975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.72834288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20396541E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12647100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07338486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.11162053E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36130435E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13211689E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70269194E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.38295694E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28847344E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87212859E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02103887E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10306125E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64355987E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38026853E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.77175033E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59536869E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22902680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04189480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03358317E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54334659E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.96096618E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16389070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12494390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03962413E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86749908E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60876306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35760958E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50853813E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83724171E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08586264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.90268263E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22161766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.60245280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.48502139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19514292E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09314442E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.49253600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.68664583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26393957E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.60097245E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30332690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.60887284E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91308789E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97981370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.85290660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95096900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.33002570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.43341940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "47": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13686102E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06092636E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52580240E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25845582E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39904851E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29353792E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35413925E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80450716E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58420713E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19034262E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65258027E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75748414E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37754396E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02947689E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.65338908E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92070834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.90113422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33067749E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87668282E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52068008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30198766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52029976E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28580744E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15233290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47118690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43343513E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38640955E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79165402E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59989230E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49071527E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16591750E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63029191E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25969588E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12303826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54981797E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44190760E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88359970E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36135235E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.67769267E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35045670E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69714178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72926322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56005706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31876443E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12947874E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25472128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70689381E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66435941E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60013998E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.98242425E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46826769E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.93808672E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60261025E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12488450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.26169761E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58675689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29711217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58318425E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.28888782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58762927E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.26906522E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12428867E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22366870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.47961492E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37680450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.58521000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.52840340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.62875810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.42919330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "48": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.89071917E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00899377E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40330953E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23026019E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.34248649E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28767707E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35760229E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83941241E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60632150E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20271592E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72012830E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79541933E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39977454E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16361970E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73557333E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97172651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02175520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52086545E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99117193E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58782437E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.75154371E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80825980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49714461E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27246742E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18835547E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82516466E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99072098E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43895456E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05939485E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69140839E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45979997E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24037706E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41589189E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59727855E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71601136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09360664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16194338E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48832589E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.28426575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65089870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84343579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.46581972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94042835E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50552204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21631949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63120729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80059568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.95515015E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68575922E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.17941775E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84652381E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.95224686E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97358227E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28441382E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01300907E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96467964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49449578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64081796E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.87222530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90266310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.91299749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94585758E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59146030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.52546428E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.62069000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.39673500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79891200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.78753410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.95844700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "49": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.88285108E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01322180E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44319731E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25305646E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45791027E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34289156E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38370938E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96330036E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66599861E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23197689E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86611244E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86966766E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43848567E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37122965E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85011377E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03678183E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05919921E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73915158E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11997725E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66317520E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24803137E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12394788E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71488961E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39886979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95707144E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27003236E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03070733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47969655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55271770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01267710E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.52883982E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60155878E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20058700E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29911106E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.61064689E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82802263E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89139916E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63625555E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75951911E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82062597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53208370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33618738E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20350914E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27461084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12494860E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52201368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.03356107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45233343E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.37972784E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48547075E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.70088390E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.53599087E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49981056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.51929048E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37010093E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11525514E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.55864522E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87852136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51563641E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.08391902E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28620339E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21331674E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10382616E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.30206236E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39763470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.86616184E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84751790E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.66497420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.21985050E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "50": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74534403E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99067942E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.42651511E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26767650E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58724261E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41934390E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42421167E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.16871088E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76879156E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28355618E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12815896E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00493669E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50942383E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74886852E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05407833E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14824953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12075676E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08743786E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31890244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77951378E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.93225188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53108388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96897898E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54241230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80222349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74016006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26412099E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53500260E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10766160E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61980376E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.50526578E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81275782E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74666186E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46099329E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15260775E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03062504E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72200721E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00272550E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93106728E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.65908914E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95791320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55941371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31828770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88259247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44761101E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69239648E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93855133E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85023748E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13935931E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36767301E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46871620E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25274119E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68298402E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.17043940E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64357763E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24314710E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.19714288E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.21431431E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69744422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.09025481E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.85305289E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53095738E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27898151E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25394670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88425001E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09938726E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84853130E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.48626760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.74859370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "51": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75339381E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00285955E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.51340658E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31641818E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83930931E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54360602E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48496438E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46579639E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91512222E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35642277E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49617816E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19380445E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60799487E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.27184660E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33547136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30085051E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20490009E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.55880977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58553371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93639956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08012259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03108721E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25514803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70084983E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.70895719E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23290363E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50488113E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.61020954E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56761330E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26309595E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.54604330E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03869693E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.33132624E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63403286E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72969244E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24533694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.59834078E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38783846E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11074464E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05356011E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40269005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79252628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43818063E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.52036006E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78988192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87515067E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92972699E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34499004E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36544503E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30225540E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90555940E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.05315649E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88616736E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88872161E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.94388368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38310455E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.89443168E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.58037631E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89580022E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01889566E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.47370762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88147982E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47385029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.31984484E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43297470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34929640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00018480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.89884920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10724290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "52": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.47672242E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94066595E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35544412E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27817855E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76531836E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54056208E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49337516E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53773421E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96154542E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38385471E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65224478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28106906E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65649405E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.54164467E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48638503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38595708E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25284678E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.83304446E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74325905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02660117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13678715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.37321695E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46361798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82700904E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49667574E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73421082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74432211E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.69852295E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01076150E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.85083154E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05425035E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25968945E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.91042343E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80644604E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.30505497E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45894053E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04675826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76888349E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28817507E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13999369E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.84042140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02114726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55580857E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.14782844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12736661E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05614029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.92575451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86304109E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59850872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26035604E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31940790E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.72841693E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05595772E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.48464255E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.19176371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49807061E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46548988E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.87895755E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05693190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10790207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.97227758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16027853E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62949691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.17853066E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.88493090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58544670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.27474420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.43785420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.44409900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "53": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61756518E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98499834E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53957214E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35962458E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.13522194E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70734024E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56935233E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89053926E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12885404E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46488985E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05395149E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48460929E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76151822E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09201527E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77869334E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54278618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33857601E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31570569E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01877937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18928389E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22824521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90064889E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76855245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99745852E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04772815E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26461992E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00283038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89786351E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50021620E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53102094E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16626810E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50450395E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.54458986E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99322399E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92087351E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68460786E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13747028E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.16210199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46939828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22749162E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27994973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24873708E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67236049E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.76792968E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45890514E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23380612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09114802E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39293154E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83607745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.24033576E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72372490E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.62797082E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28130470E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.27325330E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.51901205E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64968565E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21833666E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.27290877E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27033664E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22606013E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.64007859E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.53920694E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84184721E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34887528E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.49337100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86444650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.69633670E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.05977000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97173940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "54": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48423264E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95885756E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.50058918E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36607377E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24863019E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78820775E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61704848E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.15003854E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26552168E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53569844E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41759707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67129605E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85801382E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.59489204E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04269972E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68199832E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41151661E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70954371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23373885E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30914483E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29810095E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.32385894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03606176E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15735140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14324160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84124790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27819260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01342458E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06924070E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.10131557E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26524380E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72618852E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12720009E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16623676E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.49333216E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89448485E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22174491E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52689742E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63727568E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30846524E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.68611444E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45840034E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78019021E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.34468903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76710191E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40022684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18493691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.92315492E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07474884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.23332857E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19852190E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.56806256E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51543754E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.08866259E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85620914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80551164E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.99140065E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67714973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.48946885E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34747076E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.32692316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92993904E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06167169E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05656103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12785410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15222000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.44000200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.76723630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.69216750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "55": { + "references": [ + "dyall2009a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46013948E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95239765E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47858799E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35926991E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23772617E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79241253E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62263856E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18883181E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28814095E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54847766E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49162288E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71451522E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88270827E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.73175836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.11681588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72262572E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43399077E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83643947E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30251793E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33386940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32602505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51049587E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18003562E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28157856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23685235E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91374788E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98268826E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44830456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.43981270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27743147E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87929476E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06102307E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23589691E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10396530E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43948696E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11897001E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16628433E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47606100E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.52122855E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27232141E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37396752E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.18824831E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94301580E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45673921E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43534104E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85708541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00630763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06932858E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.62603379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89349722E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46565095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60214345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05354627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35767010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97423139E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54583510E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60300028E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.58971303E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37006059E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.76506422E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80894082E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.60020316E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81731735E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31874292E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.55132951E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37809717E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.77679042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.47615462E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00701034E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57833310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30242508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.29345754E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79382752E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04582820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38502110E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28899455E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.63575043E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.10966020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "56": { + "references": [ + "dyall2009a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28086965E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89790764E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.25586977E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25800485E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.74618158E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55153677E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50409573E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60417226E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99760198E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40222266E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74287504E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32477599E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67709698E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63638149E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52943559E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40932382E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26816951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88200023E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74183377E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95118184E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10344180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08256192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18054891E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68813429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83867704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20291415E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06335810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86002370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84048861E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09846152E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53305840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60318570E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.97190043E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59658232E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47800159E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.12160846E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76219279E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.47007346E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61907028E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51254788E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78578031E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21745021E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58915454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.10054941E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20788440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20721993E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18944851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.37282594E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34027771E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73499305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36826016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09661813E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94824110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23590520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35388561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45643843E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48087621E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.51767149E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99851226E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.26579395E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09447914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44739556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.19015565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.71283436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95671159E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04718100E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56405651E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88634175E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47287376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.23682363E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.33032812E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29802090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.69569954E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26218177E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.51074070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53761100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.38639360E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79294551E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "72": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47387190E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72158300E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88759957E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23692904E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25793831E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03155111E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83018986E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.56085251E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11052469E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01870177E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01220109E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17157224E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68786995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41891787E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59590969E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11484202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22485262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22723073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80317008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66243221E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09940142E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17604417E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26099040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33692332E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55564497E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.19965847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98603844E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23617130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89567436E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67729126E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00142247E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07433271E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89981095E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.22089317E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51961389E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.69676642E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.58693776E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.50562232E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79542451E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63048935E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.44580981E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56724576E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77453292E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.08782228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72919814E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53705409E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35825489E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.08017987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62483170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71640682E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.21486362E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75706116E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37243308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63671743E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21488058E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81434910E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.72524233E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52891276E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04082521E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.79652460E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75071735E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.58216251E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.35209497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25729362E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15980782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.80172020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79991459E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22507431E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91171836E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81605533E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.10065659E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79752871E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.14435448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41220015E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.97547640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.75700059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33686492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.49941524E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.08799631E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39458851E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.72547744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70220258E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.06070230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.98476058E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.87378800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "73": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46340897E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71911950E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88216787E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23756519E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.28526975E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05868804E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85067044E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69478039E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.19167039E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06553889E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03852534E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31719519E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76752410E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46211665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83105255E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24626950E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30092608E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27326477E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08337179E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82295904E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19742190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23446251E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.58291202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52577272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66419669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83973533E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.31697699E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38987593E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.48509651E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90242612E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04340859E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16396697E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11790871E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.80417061E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69031577E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.23615580E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76908002E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01610704E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04748978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73418067E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89980606E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77698524E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87562423E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.59593609E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99143275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67713172E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43441029E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.48174751E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83983890E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83004522E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82113985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04284599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46662789E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.95254291E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32307321E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.77009432E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03124245E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67222756E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.52884868E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.99482921E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84037805E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.01824421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.57395123E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37394629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22167235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.12640703E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97150404E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30997466E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43707380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08705756E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.24452895E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24141863E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.79781620E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63620422E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.94584107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.22554049E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.57856089E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.79373118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77892969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75135480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.36943084E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20915474E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.62244430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.11928633E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.23484990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "74": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41018810E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70489853E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83172802E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21674430E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.19067252E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01635627E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83347184E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63415862E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17500855E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06388903E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04104107E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34910785E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79598694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48390359E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.97876636E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33738585E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35243925E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30186961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.25024908E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94137929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26968708E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27882613E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.83884335E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68337589E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75976731E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.38336790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60600973E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52587336E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98528887E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09430068E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08975288E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24544773E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32854740E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03831690E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86258639E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78650783E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95631043E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08377599E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30814488E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84138849E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36873085E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99336748E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97979850E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01183828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25965396E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81957226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51139595E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.88574213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05650421E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94352021E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.41911766E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32086298E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55320744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23521199E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41814578E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81558266E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09440668E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82590536E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00506052E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20641404E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93596219E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.48318785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.81079983E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49883902E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28835587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.47991139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16168325E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40832492E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.98056754E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.35135087E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.33820662E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61741825E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.38338168E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83656052E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.80869452E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64309995E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.79326205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.94381629E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.39438207E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07200822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.89768088E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74587115E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.47390320E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.41552147E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.67125850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "75": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35989718E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69194013E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79498858E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21052705E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.22640450E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06411159E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87016706E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.87685669E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32560748E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15308862E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09303061E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64950603E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96549833E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57645826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47487261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60492333E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50001235E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38500901E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71304453E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18022714E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41233390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36216426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24621484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91034367E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87808960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00649849E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94407902E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65778728E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48909768E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28513445E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13994487E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32614724E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54223770E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09782849E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04117876E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36034385E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15224712E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15470738E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58126104E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95352193E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85802903E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21860206E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08798095E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06594548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53659266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96601090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59010198E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29969813E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27886258E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05882521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00172240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59438851E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63359634E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.49077440E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50175901E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87842672E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16164850E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.98897975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06024970E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.42962247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03658556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97171379E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.05928203E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62976468E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35829694E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.85124977E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.36256728E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51388549E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.53697107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61385847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.41051909E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96245126E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.95193446E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03070277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.64178247E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.04690209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00073032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00564871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.99110583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38362025E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03678508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.28336572E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03979990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.73365348E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.13246190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "76": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.27257269E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66927915E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71679959E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17813966E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.07191080E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98939869E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83478815E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.70361249E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23711398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10760757E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06894071E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51580509E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89152476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53796302E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28856331E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52005327E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46990980E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37506195E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70496599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21605555E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43826749E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38210059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41986285E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04009529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97882878E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05700550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.21154994E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77568447E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91576003E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44900771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18512564E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39734780E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74559720E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15631962E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22010891E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.94253296E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35270374E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22763581E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86268125E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06911502E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36222180E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45052337E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19927405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12165441E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82394657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11914998E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67328653E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.73361436E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.51294839E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18307259E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06553469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.88568590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72513914E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.77999023E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59125352E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.96445694E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22945038E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.15283727E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11550040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.65242515E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13684795E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04579982E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.30670407E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76026356E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42818138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.22394460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.56592290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62200984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.09505431E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87447219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04746313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29277733E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.49326891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21493483E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.42927397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.42803266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19601762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11016202E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.55197385E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67846358E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17912467E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.81290373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.23296840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.03113771E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.59700730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "77": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26557070E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66799660E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71455573E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17849771E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.08259290E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99782342E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84025972E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.74176091E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26566156E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12815094E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08306261E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60832544E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94932441E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57299248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.49903454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64635475E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54559286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41952066E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96745323E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38085683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53906014E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44301622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.76860402E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25156806E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10232188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12441609E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54664820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89433942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35966387E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61515649E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23132646E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48528268E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97869821E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22172119E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41766894E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05803433E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57111011E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30672506E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.16635447E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19315193E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.90010707E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69659438E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31678328E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18017066E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.12372161E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27752726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75850063E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.17824141E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.75262779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30848545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12927921E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17361591E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81009789E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04237184E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67125639E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04320190E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30076028E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32472136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17328227E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.88476841E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24112930E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09624763E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56278835E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89510340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50030823E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.60835220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77609459E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73446034E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.66615746E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13736839E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15376445E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.60978412E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.01737751E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.39283326E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01882436E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.79525186E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38412853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21080600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.09289243E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.96414114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31820351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.33544605E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42588700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.32313128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.06628930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "78": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23420892E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65899440E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68116212E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16484183E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02504897E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97530860E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83323908E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72993169E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27067310E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13512541E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08831873E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64294132E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97163388E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58715347E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58678103E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70062704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58419336E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44521405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13902372E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48666004E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60540936E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48571344E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.01886656E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.41202599E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20284608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17470525E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80381761E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00629250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76560267E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77078534E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27552443E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56816279E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.20810428E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28741914E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61867997E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12348863E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79653781E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38862603E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48115986E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32167481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04567665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95087586E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43802442E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24045191E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.43245977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44043695E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84606294E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.63428838E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99885830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43707997E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19413604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46504578E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89449186E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29907816E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74782345E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.12318142E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37262779E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49719416E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23101317E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.11612320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34473881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14629999E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.81679073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02888445E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57194762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.99126375E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98671881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84805425E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.23896247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.40065701E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26055379E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92319147E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.53390681E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.56761361E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09322089E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.15465796E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.56806054E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30913817E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.62207100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.24480990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45574803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.85551654E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61951390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.06377326E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.54812010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "79": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20722185E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65203591E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65791538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15623033E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99306481E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96414959E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83059018E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73616208E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28555453E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14864996E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09813562E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70796184E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01343252E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61404252E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76047503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81220084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65695654E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49025873E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41074448E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65028217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70322634E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54290092E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33768986E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60569283E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32465197E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23675190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11377850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12094928E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.19014878E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92996891E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32102832E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65072863E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44146920E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35503096E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82714630E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19172564E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03235178E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47444090E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81092180E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45606146E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10373337E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21538265E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56384824E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30289570E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.75225361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.60892673E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93652205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01043048E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25279113E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56950900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26038793E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76109469E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97865855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55119224E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82141897E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.20176656E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44781015E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67716021E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29106678E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.35609420E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45192758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19794849E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.07825792E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16631231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64540819E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.38347565E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20264263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96488353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.82342970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66732051E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36810745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.23160470E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.04603731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74042218E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16667491E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.50923691E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74952889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40612577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.14450483E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52275993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59267636E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.37589250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81456950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.20070770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.05284810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "80": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12469008E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63000198E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58135711E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12640907E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86684811E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90779773E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80369752E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59773549E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21024785E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10667513E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07455838E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.57522121E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93833272E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57096876E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50730159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65857114E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58020082E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45133810E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.23885044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61241165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68797286E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54467071E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.42550174E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69598090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41595084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28093959E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38447244E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24481117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65966421E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11919795E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38463618E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72039001E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66150036E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42173815E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03843590E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26214315E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27883259E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56495125E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16080146E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59916366E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16569241E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49810622E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69851209E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36974621E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09420476E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78828185E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03243813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06003768E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51996470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70842935E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32946819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.06782224E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06510308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80716257E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89365113E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.94572739E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56799497E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.96521969E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38730221E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74157103E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62484917E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28173466E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.50548228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39286102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76854909E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04625288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56392220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16373781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.86526299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17692814E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58951527E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91651287E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.70518113E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.96276315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26111670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.96664184E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98407780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53224830E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.82669725E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.88627997E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77363778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.12091882E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.11236180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.36258277E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.70234600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "81": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08065886E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61819739E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54011652E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11035998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80336594E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88482357E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79728915E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59295390E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22230583E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12016222E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08528266E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65073069E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98842819E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60331928E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71523927E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79269345E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66890167E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50914461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.60893478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85695076E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84941168E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64950587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99556157E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04580944E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63070922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40669517E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10350554E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60605843E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16832538E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01391846E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50548723E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42753717E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14041033E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30688276E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04933497E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57357790E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29209962E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.93242075E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98386651E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.40802025E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75210542E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75737824E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.59182412E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.35233370E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27084287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20836151E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.46569645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54604117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93651311E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02935156E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47511333E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75810139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37743354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.43505311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35622566E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85719824E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24958305E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.76647738E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03881897E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46725832E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54761056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03554117E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.69737280E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28853172E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17228804E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.18961286E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34166896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80401385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.55801447E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.01774026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53510172E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23332218E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.69796609E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46388080E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.99285125E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64348470E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.39007663E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.19312209E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35882918E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.43981621E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.22692107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.66305546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.53817185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.27104494E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97350016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.08022357E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.97511755E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.85253851E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "82": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03798479E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60690745E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50158015E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09541152E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73747986E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85240024E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78043163E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50480279E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17656436E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09673002E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07363806E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59612309E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96529042E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59507762E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69510257E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79292554E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67978643E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51962899E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69502226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92454742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89250027E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68005206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23723643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22327683E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77804722E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49086619E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65783736E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97829937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36025214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89616920E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02344244E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48876065E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16821975E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41127699E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08859283E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72414988E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35125079E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17028736E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08204042E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82465553E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93487429E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84103284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99380189E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55452747E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37621095E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26467890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.77241843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71724457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03301293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08287874E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78253851E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93572621E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47773217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.01333423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63794096E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04471072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.97592513E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23675645E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29356064E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.06417412E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74121675E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11092616E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.02922099E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44704323E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25285235E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.61554572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57496541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93406179E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02760058E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42011456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76252810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35839970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.38064514E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81842020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06118956E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22035917E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00520285E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.41495533E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45275798E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.89365180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.45975469E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78845449E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.22196908E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.64266605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16866137E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.02167191E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53085016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.77664156E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "83": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03119892E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60514899E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49460224E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09217826E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72286077E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84554484E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77691456E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48420218E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16392597E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08885196E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06852884E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56164908E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94187439E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57928191E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58800210E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71603844E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63672055E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49608973E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58643392E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93302357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90841122E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70043921E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45188226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39079397E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92544119E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57671776E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22623938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36549072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55529714E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79945828E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45161840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57163117E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20200125E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.53385085E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13288565E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88809084E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41393227E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41758767E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18252541E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.24851014E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12276827E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92853126E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.41674992E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76445132E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48295911E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32043796E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.07329278E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88439565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12684889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13562105E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.08939127E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11500618E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58092243E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.62751069E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99503627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21713018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71368957E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62026541E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.60564710E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.79426902E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97738965E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20263396E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43209485E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63926977E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35047079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.13190618E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85781649E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09198210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11516104E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.91228033E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04303186E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51355417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.22430784E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25039533E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26579892E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32978720E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07030290E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.63238800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54467335E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.33683554E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.68697240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91071064E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88941892E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.00681763E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.36158202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.95517091E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.78625800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06023570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "84": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04132058E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60781395E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50296684E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09487767E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73598814E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85568070E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78562706E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.54972388E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20812353E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11623560E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08446488E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64931617E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98767414E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60218822E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69844819E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76533840E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65861795E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50451696E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61199521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96704287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92099898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70811312E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.56814016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.48420451E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02567504E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63701424E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.66086655E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73699821E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74012749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.67323249E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81143634E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70483094E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25428734E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72157602E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20167538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14740809E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51433022E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81666935E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34651738E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.94478784E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42681812E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06558607E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00588033E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07734618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64074877E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40231877E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50681654E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11869237E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25585038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20443832E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.46951983E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32581203E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69891908E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.30278160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38402297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39823852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47226927E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97645336E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94476700E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.58557164E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23232873E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30121862E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.86354416E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84457341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45444577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68140169E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15825297E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25967572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20861528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.43980393E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34518237E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68154993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.14193870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.72050658E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48634616E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.59814254E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13495050E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.84763958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63553758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.77420903E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.91113585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03125894E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05482774E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.36738054E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.55387945E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88738949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.21912863E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35539185E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "85": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03482564E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60621874E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49836954E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09388542E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73977311E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86231251E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79228388E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.60618208E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25144821E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14664496E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10454999E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77583526E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06466756E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64794396E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96629450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92144919E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74964998E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55808898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93225315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14038576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02064999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76300850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.92098026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70496630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17982594E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72804337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.22656942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13080993E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93665037E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59565072E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17280062E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.80820295E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29759559E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88229312E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26152758E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.37471764E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60307011E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.17330592E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49335845E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05659290E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69918962E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18969792E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06453783E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.36400181E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78500036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47694036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.90307293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33302353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37341985E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26737102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81901609E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51776239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80703762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92798270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76241232E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57474650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.22057178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31266602E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30243632E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04185084E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49974095E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40424481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.31289497E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05788923E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56221370E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25040579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46867205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43279458E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30548231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.98796665E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.65962865E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85695263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.10450738E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21483577E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71535619E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.74340724E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19973926E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.06254277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.72608505E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.20928786E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.13405247E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15110240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12039677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.72709106E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74673093E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08233409E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.72950677E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.82391640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "86": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84798489E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55661447E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32787165E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02832277E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46297726E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73833194E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73395901E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32206424E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10893642E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07335353E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06600587E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56967131E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95281483E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58620869E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61735059E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70952776E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62643649E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48209526E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.44019334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90578503E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85826415E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64592887E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.43696688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42043507E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07806857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68144512E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.00631872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35448673E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06144330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.27636781E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58061237E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77708571E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30667777E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94562797E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29131783E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.50325792E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65743754E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.40364278E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59205726E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09965430E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89189488E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27873625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10714451E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.57491838E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89263780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53336179E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.20609431E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.49955347E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46562537E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31769463E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10603253E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67730712E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89843313E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.46659718E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11732737E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74318443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.95136360E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70607152E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67507519E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12841311E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77649334E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51038247E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.77379248E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.27595657E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67204077E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.82948435E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78401338E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60866844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40437654E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.54960079E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98257799E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03796235E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01041437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.73001501E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95078075E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.12296951E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26483434E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.27823687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81692888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.64528882E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.35732024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27103637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18603298E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.08776747E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.94090639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17660739E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.31008520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.45439799E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "87": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84196158E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55489550E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32052997E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02463280E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.44514761E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73024103E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73063388E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30943141E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10470458E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07234456E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06624138E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.57596093E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95949290E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59211136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.66647585E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74626472E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65685980E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50639792E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63135729E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04487758E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95248801E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70665602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88867584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.74936667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40996084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89469745E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04681411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33574655E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72443061E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35952190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30440000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95071293E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14641119E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11329999E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43524266E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.91216192E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36496714E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16654993E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37525890E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82822160E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78632351E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92795002E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81096909E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19362332E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30832703E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47003764E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19844186E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.02692163E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12357243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65512337E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89694352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90855952E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72188201E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48396883E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16682727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39962249E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33315518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20395993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63616073E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62575587E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18122871E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47761560E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36812410E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52390997E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23487907E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20215631E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18182539E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24611481E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15247688E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65436553E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.39821035E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57135609E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82080645E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.61576628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.21264869E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84920445E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54160560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.33391609E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.43818447E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29598719E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15583880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.55490414E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44408603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.86904540E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00829277E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47220776E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31948775E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.45835513E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89257078E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.00659061E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.54248602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37114913E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24246133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.42061937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.14407465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27780943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.99564783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81280960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "88": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80565570E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54524704E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28705247E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01159919E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39348648E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71281160E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72944470E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.36497948E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17673584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13502834E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11189842E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88090825E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15917077E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72294310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51443107E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29721346E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00187725E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72510500E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00277953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86476426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51299858E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09488964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19638314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.11440168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21057962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34582823E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31510348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77422309E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61549960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86223187E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47483700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23951224E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56556662E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70079540E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00564657E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41078956E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.35017805E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44751581E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11458884E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90182872E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40364943E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01125681E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28002327E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69223184E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64671585E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28291666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44582958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33762712E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76771530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.48098978E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.19333028E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85329696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53238118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31968300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38897906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30318048E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17321581E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01525933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97087111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47749661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00679983E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77053641E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24964369E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98663843E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.73211611E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37211900E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54949200E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80458301E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.04257989E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.87334073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97153465E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04071526E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.64127047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08907736E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67890972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.11756466E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.89199077E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55374053E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30158105E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.38505218E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92330385E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09463920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56605274E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22407157E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38629006E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.67836732E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98496918E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.44903607E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.76903467E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49302970E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30959204E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.79505201E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.35161155E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38210100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.68426794E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12848990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.75932963E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.90391359E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "104": { + "references": [ + "dyall2011a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43339482E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44542257E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92783051E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86157265E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70303447E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37210606E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55238304E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.40277733E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63810752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82919868E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.38443797E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89935844E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60032647E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40182542E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65258901E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.29205393E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47448016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47817993E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41831865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07167575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79557620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22873222E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36628940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.27030324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75217932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70240318E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40890629E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.57692036E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91452982E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45524295E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73341156E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04757109E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29724263E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99526789E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95722838E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.69005282E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41496393E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10363015E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56129967E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43974565E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00348062E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.58141004E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14623566E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.26685118E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50735731E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23489428E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27082146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26952714E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74430448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.56520074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.34738584E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98748688E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69639321E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62048229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32144456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85304913E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43794521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10381214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35122020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36221556E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41655070E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10976844E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10075421E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56254223E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63375148E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15652514E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.39951042E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89152438E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87053951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.42728436E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31487359E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24875608E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.89908976E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84237544E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13025894E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18906146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.52695937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.45888811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74357819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.84117000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32025608E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31131946E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.77935814E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23372249E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89294807E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.29735510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.65332558E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25272597E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.30109575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.26958925E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.72120081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.03305849E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.60870045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25608948E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04370725E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.44667814E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54737747E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.30170310E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.73934680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.38568880E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "105": { + "references": [ + "dyall2011a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.40728852E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43844828E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90342084E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85183226E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66081454E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35261228E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54328700E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36212097E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62246752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82506544E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.38636424E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.91029792E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60942888E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40786423E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.68279220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30840883E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48224724E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48260196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31594181E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.06386968E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87192153E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24809527E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37652007E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33514117E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80674381E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75370492E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43394999E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79105391E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06880244E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61264135E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39060019E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33953996E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41088425E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.05749681E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99668836E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87291743E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49521180E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.45075144E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71148850E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50512143E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29068771E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70896450E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20363093E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52951351E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63028098E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29398936E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56303937E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41839437E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82262318E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.98828665E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58580576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12372824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77459345E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00786175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58330612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00144278E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52268388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.57781843E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58067590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44601802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72195883E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21217882E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51187905E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65386246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84109970E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21996884E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.62968310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98593198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.29574876E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.63255258E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41969027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30444320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.20599299E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.01486855E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22681972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24474335E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.84932839E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64214160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84917574E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.43541319E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67591123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49585460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.59984349E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71942749E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15079441E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.13573384E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00221658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42048975E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.16468991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.74351293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98593646E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05561971E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.49316177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.75141357E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30708739E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.68487393E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89553000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.33993180E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.48274720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.16486580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "106": { + "references": [ + "dyall2011a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37015508E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42862476E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86971296E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83902830E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61193141E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33581566E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54060578E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39351117E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67221519E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87233467E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.76219019E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18531173E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80473092E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54650412E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71339680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05200678E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00985878E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82754267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09697741E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74317711E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08892500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36653796E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44602381E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72908632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98996626E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83102239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49786978E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08993644E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21912852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75867785E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.01715178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61857986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52052824E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10829795E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03325099E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04902863E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57421454E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.79767014E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86327182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57175754E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58537775E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84051334E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26304767E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.80212072E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75805666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35547342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86725827E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57340510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90389142E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04221598E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82679032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.25925377E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85156754E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05296572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83771666E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14538753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60317400E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.02501365E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79416514E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52212785E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.98676265E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29701555E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28905019E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75181013E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06305161E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28774806E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.87510627E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08639824E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.74761613E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.85057732E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53101246E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36359541E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.53180605E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19770366E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.32897576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30359054E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.18978824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83600365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96144417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.07961982E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03481958E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67356314E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.37350323E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08726899E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.35440516E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.79319454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.27478709E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55092014E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.83425739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.10988587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19042230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17318986E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.17742092E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.13531785E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51280755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.67468778E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23435531E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.25213350E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.28037710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.38929850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "107": { + "references": [ + "dyall2011a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36872902E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42811840E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86605883E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83622803E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59351143E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32474527E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53415223E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35333654E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64576553E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85579856E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.67819741E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.16023880E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81291978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56655260E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91132504E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17373067E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06352626E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84944998E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15732127E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22388752E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40772245E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50374395E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52643219E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14262214E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23480146E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97264953E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55993640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41166892E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36077369E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88745592E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59103837E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88087935E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62955554E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.19248649E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07982421E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.25795973E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66478908E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01876890E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03180388E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64512552E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.90788619E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98382479E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32753124E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09688395E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89565197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42137542E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19168594E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73782311E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98974808E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08785039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07955197E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40081892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93170999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09952704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09926887E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29272410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68544740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47433877E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00582341E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59697016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23683478E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37303511E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17539052E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85077164E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28714110E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35610367E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12222569E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18736181E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02006516E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.06863079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64205986E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42248407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.85540502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.37891084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43027750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36198606E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.52815906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02927918E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07405902E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.73219523E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38884727E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84590721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.11874627E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41024155E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54320043E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.39986411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52566820E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67055722E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.44754123E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.44469073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37724964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28056645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.80189342E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.48613058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70216723E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.60118968E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.57443342E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.04397480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.11364280E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.59778900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "108": { + "references": [ + "dyall2011a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34404034E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42148893E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84236314E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82646808E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.54973182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30390780E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52365155E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.29582964E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61170428E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83440821E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53399927E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05504650E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73503867E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51305864E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58623155E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03073774E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03275693E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86735548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15872834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24188595E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44306039E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54061305E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55227309E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.28378505E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37610095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08251825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65086240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96586450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66961764E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02891717E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23119688E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16481022E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74792054E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25254367E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11942715E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.44649094E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74929720E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05596960E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19509363E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71704905E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22691476E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12658558E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39210383E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.39312205E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03424605E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48783970E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.51912283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90378781E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07648226E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13413182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33621412E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54442354E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01273212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14649093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.36265296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44202126E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76929877E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92588987E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21545305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66848750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.46716262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43988343E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.10450397E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95200461E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51596202E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42571806E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37309975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28953107E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06577951E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.28820699E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75368585E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48160007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.17963096E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56011813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53155044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42033502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.86601159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22250428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18701772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03904030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.74044302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01542124E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.84852668E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.70957059E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72563730E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.98368357E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.76657984E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78511399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.03425808E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.76440471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.55565695E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38304049E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.39676664E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.82067555E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88382132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.50003364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.91587655E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.01747770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.97184500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.84681960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "109": { + "references": [ + "dyall2011a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31891733E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41454656E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81607692E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81482325E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49179108E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27207976E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50514813E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.19293225E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56311483E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81750343E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.50513217E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06938643E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75511549E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52432007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.57460963E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95728059E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98049525E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86955244E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13665743E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03189745E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32026814E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46378911E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51132999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31091146E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37276901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10243454E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73794551E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.58617732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06106018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16423936E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.82542950E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42890695E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87061717E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31371678E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16000842E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.64074475E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83674676E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09462250E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36556083E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79251953E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.56322211E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27760106E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46054569E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.70716086E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18091886E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55797995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.86369016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07802906E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16730375E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18248595E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60419051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69470017E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09752257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19567527E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.63769920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59773135E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85614162E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.38764899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42851270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74146223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.69512862E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50276988E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06136092E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05704993E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.75331407E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49765522E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63042634E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39342782E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11186831E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.50778740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86447033E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53990408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.49767856E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.73720336E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63050328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47736622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.19692412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.41220866E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29841360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10438868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.08669045E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18175539E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.56518438E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99250068E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.90565305E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.55746045E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00277651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89707715E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.60682211E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.07565016E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72922762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.48262377E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.97370273E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.14555212E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.06116894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.38508567E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.25915495E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.92862770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.85499040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.08829130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "110": { + "references": [ + "dyall2011a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34187440E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42072304E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83705299E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82243492E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52340844E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28713088E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51343205E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23670133E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58048610E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81916816E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46320177E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01975999E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71165870E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49136587E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35008337E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79088731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81522009E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69804567E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12397757E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.45352698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71605917E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71017917E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66347701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91337612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.74628855E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28607033E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77399509E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55254319E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89940448E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23289256E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02177679E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64522004E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98062980E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41883056E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21374996E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.87796938E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93943547E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13901407E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55828469E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87673483E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93446576E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44294075E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53505429E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04779977E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33958813E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63360284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.23321488E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26347505E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26313981E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23309953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88250051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84948328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18416499E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24567385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.91594967E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75520316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94350834E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.84749985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63913310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81244131E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.91092335E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55981532E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02765939E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15699518E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.97865775E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56614243E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.87723503E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49382207E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15666719E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72228148E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97309783E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59722780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.81064178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91141587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72788205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53345110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.52184020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59893348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40846087E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16939590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42973782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34638491E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.27361831E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26574630E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.08430866E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01250762E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.23602108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00738788E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01704543E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.38148797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.89971334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.58032416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.53858639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.46404390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23584171E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02627147E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.60448112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08577830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.77044600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.34069250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "111": { + "references": [ + "dyall2011a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29536080E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40827098E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79330180E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80489940E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.44598289E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25110442E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49660020E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16160894E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55257872E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81434228E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51727944E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10816105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80378778E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57379766E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.03797861E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25973907E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09463534E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84777005E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18449002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.67022794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85353685E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90026608E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78961671E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07237547E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.24619916E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60249420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97223256E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07695145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60675514E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47111768E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12196733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04188023E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14047100E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.45323700E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24620699E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.04854786E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02017251E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17589897E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72476024E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95167691E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27269583E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59637998E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60516724E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.37157277E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49152923E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70649966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.59200506E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44491571E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35764320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28347399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16145081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00570890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27198008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29629681E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19876783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91632414E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03395752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03205937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.85533795E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88474453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12539393E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61387842E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00685335E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26367516E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.21907228E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63892901E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13760211E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59883605E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20313141E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.94294658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08400849E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65538892E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.12658148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.08667641E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82567944E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58969074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.84722320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78559688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51821970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23428946E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77030831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50949978E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97632043E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.53163517E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.25997699E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06812669E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.46410186E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.11508393E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07208098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.67983865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.06614891E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67582114E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.09196591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.77743980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40878684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11374688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.95235725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19464490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.73225560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.63942360E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "112": { + "references": [ + "dyall2011a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28389212E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40521807E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78180836E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79948430E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41886022E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23823867E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49197681E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.15543894E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56108459E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82523194E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.61243470E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18125511E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85477532E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60672189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26857498E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50415392E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36757664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10314095E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31656549E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20063162E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.00791740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90296683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78393463E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08011189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23563614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59463200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97855145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07147041E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51185273E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52949835E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15935551E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25697150E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31320980E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52229832E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28950204E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.25561721E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11409123E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21781106E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.91121742E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03480680E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.64516614E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76433472E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68150313E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72224217E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65513678E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78446385E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.97283543E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63598487E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45630365E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33548904E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.44586477E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16274035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35940387E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34629367E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.47661555E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07452434E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12232559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07791448E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06380962E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95321250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.32264038E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66155757E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98613341E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36670187E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.45083633E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70890942E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.38733622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.69943034E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24764497E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15471515E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.19072065E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71149871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.43183159E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.25615717E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92047727E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64429163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.16358297E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.96826487E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62632050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29862479E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.10799317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67149237E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06753088E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81917205E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.44007924E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12499017E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.69679883E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.22451893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12780880E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.98100587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23377361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77154130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.64214729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.08792571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58030520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20082206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.30218881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30576120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.76734530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.96449580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "113": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27159881E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40170345E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76778279E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79291600E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.38362503E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21609054E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47575178E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03008499E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46355861E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75040258E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04151431E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75155764E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53569280E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37307481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53407402E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20525560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37971882E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33997226E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83762095E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58141239E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61382130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53690922E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.01634950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03290864E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60471895E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47729786E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64021574E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18793274E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44927938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20374421E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18367500E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.99229360E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57573476E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.63528874E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75225900E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50983078E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24796520E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64954343E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14928246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09507122E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30970836E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07244246E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11250011E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50664341E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26359688E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53959609E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.46068271E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86375064E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02563592E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.67265709E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11799672E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75607157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.61375858E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18261559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70000696E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35903335E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31026021E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48336714E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85455071E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99758777E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47611030E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49459133E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.73867961E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79593724E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.69820078E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82465111E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30302626E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.41786842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32315562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78108202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.81035833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46614915E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03734871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71131806E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.54996715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18568536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74758765E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36393206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.36450687E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.68694583E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.18405462E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12147460E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40451400E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.92266206E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.32140168E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56372504E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.86342925E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.08510540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16226344E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14209456E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.87910766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.92251539E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35071410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.05357521E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77051730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10788550E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "114": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26015314E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39854891E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75565477E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78732629E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35602078E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20184992E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46843637E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99306704E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44598878E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74302720E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.01905638E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75120557E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54265333E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38097138E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.60599474E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26022245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41897784E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37016296E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02769780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70339850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68880837E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58309151E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.32490334E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22420788E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71780975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54915471E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.10039972E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47906300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60728013E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82641022E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62192660E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04686148E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61308592E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.82493471E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84237369E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55166858E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44049664E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73790984E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18988128E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28215677E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39630291E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11278479E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30242840E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59749659E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30793737E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.76092928E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57394374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92323957E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05747577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.84618254E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21365018E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81044858E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.91700346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.35338565E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79434538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41336789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61935067E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60399813E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96204817E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55595335E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.22274860E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57040334E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.90778208E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84637448E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.87553608E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89496189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33359826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.56070468E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39372378E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81741871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00034727E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.57127474E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09586726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74425561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.73473056E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.29280001E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81196786E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40463207E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63145174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86560315E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.86662349E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81442700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54209325E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.36181318E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.50212610E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64916395E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.29821377E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.31890173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29136879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21498675E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.29107092E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.15249841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47579818E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.69645516E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.85333690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.55390240E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "115": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24889988E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39543714E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74358069E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78166804E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.32722458E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18633822E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45993048E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.94599762E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42022640E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72910096E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94571063E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71426100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52535697E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37351665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.58243148E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25652182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42332461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37789001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07284289E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73171230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72987594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61036538E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53793956E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37576966E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81508265E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60876272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50489539E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77207800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76056297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.45114508E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96488010E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.11415673E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65859504E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00556461E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95207538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60272459E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.67645003E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84683742E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24029049E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51648777E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50587001E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16438916E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54794083E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71605544E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36632600E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.05508081E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72597479E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00386560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10085887E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.08535137E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34604235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88629989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03532548E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60290994E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93876662E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49606870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10349443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87230274E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13586668E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14924363E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24052910E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65009693E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.08930872E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90177994E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.07387721E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97477279E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36875066E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.72683772E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.47670328E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86061290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02356352E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.69897818E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16742822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78505096E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.96749831E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42827413E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89258948E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45494095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.95747515E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07845519E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10493343E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62623680E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67532062E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.78563363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67616373E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73125757E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.71530985E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.54292446E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.41497123E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28473613E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.68598503E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37378558E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59718550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.32105148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.86933590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01052670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "116": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23782829E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39236248E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73158960E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77602240E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.29846329E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17086776E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45141631E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89804744E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39304996E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71371877E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85940622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66541385E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49715509E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35689957E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49487751E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21010082E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39974251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37103272E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02454373E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69871838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73603846E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61330884E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.56659604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43202011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85690773E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63046845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.70770654E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02632239E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89553537E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02275885E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26281170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.18846193E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70887639E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03118856E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07465431E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66011896E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94315573E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97055460E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29776005E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78418008E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63102504E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22321973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82689639E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85020292E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43208994E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38471488E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89540685E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09317097E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14851360E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34628599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48887032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96730471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08150612E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.86527652E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08968066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58217743E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.60788432E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16166945E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27759257E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73994779E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53022270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88618616E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.61867039E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06123777E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64191493E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20284932E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46936690E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.20425758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.71701405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98719159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09269598E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.08408842E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38207846E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90949786E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06964629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84421118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13077416E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58741635E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68994389E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.45463665E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26581305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68617240E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.80612263E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.20053669E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.84620369E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81129166E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.12133221E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.76074492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53506837E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35248785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.07012125E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.58966038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71638381E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.93496557E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.06775240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24118720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "117": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25920449E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39787655E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74867098E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78121512E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31363865E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17401995E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45112450E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88759041E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38327961E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70606893E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80429257E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.62950620E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47664248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34663116E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46247261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21381399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41778720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40569710E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31793185E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93955561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87468979E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70749829E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00522684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72688489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02029726E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73636192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.32921938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38926567E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07779317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.77632229E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54284640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.28934205E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76496041E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05792477E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19810247E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71661308E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.20133863E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08881295E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35218727E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.03617722E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74843203E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27827320E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.08722594E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97492401E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49292818E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.68792029E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05031963E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17433245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19168866E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58178806E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61829562E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04080421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12342402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10370292E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22627225E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66150905E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08020682E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44252638E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41372447E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.31481958E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79837230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12045231E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.14672651E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22105255E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21254990E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43227294E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57064533E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68500744E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95885837E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11451384E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16204078E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46979498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59849316E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03515140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14335465E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.26602894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37292288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72336847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.44325586E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83551412E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41794524E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.35421900E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.93563347E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.60999230E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.01369025E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88998406E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.52015467E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.97451126E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.65287068E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41893035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.44719463E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.80207016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83426979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.54241563E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.43336790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.68494580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "118": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24829947E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39484494E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73684339E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77563958E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28534875E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15892600E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44297065E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84292906E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35890318E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69284482E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73226428E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58831482E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45180201E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33079064E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36318594E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14574957E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36983112E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37043730E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03160527E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69580410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78607743E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65135652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.78413265E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63395830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00757843E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70887779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.17009847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54459568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17125866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.20262300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85753680E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.35325333E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80944775E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08103957E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31021192E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76971547E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45064127E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20544916E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40668494E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29079454E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86757613E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33424951E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35218988E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10186595E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55477667E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99548803E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20694480E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25603267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23495363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81682191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74685165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11337803E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16445616E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33507489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35723395E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73775679E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.53233524E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71461208E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54480807E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87591573E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11351130E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37637694E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.72323690E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39530250E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83344108E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68119517E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68017334E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.20333430E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21876374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25102266E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23613283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88142235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83084288E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17005480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22247587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.71995940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63412468E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87141360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.27211076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.26175850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60438079E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.77708090E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.06489942E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00176725E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.18016911E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.96805885E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.91536067E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.18610418E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.76938856E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.48461775E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.82011240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.01242935E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95144031E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.14623710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89891090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.28736030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-av4z.1.element.json b/basis_set_exchange/data/dyall/dyall-av4z.1.element.json new file mode 100644 index 00000000..8ce5835a --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-av4z.1.element.json @@ -0,0 +1,450 @@ +{ + "molssi_bse_schema": { + "schema_type": "element", + "schema_version": "0.1" + }, + "name": "dyall-av4z", + "description": "Dyall's augmented valence 4-zeta primitive basis set", + "elements": { + "1": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "2": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "3": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "4": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "5": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "6": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "7": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "8": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "9": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "10": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "11": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "12": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "13": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "14": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "15": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "16": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "17": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "18": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "19": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "20": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "21": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "22": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "23": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "24": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "25": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "26": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "27": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "28": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "29": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "30": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "31": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "32": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "33": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "34": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "35": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "36": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "37": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "38": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "39": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "40": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "41": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "42": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "43": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "44": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "45": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "46": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "47": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "48": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "49": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "50": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "51": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "52": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "53": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "54": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "55": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "56": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "72": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "73": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "74": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "75": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "76": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "77": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "78": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "79": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "80": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "81": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "82": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "83": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "84": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "85": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "86": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "87": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "88": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "104": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "105": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "106": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "107": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "108": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "109": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "110": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "111": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "112": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "113": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "114": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "115": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "116": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "117": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + }, + "118": { + "components": [ + "dyall/dyall-av4z.1.json" + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-av4z.1.json b/basis_set_exchange/data/dyall/dyall-av4z.1.json new file mode 100644 index 00000000..8b20c1d3 --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-av4z.1.json @@ -0,0 +1,112201 @@ +{ + "molssi_bse_schema": { + "schema_type": "component", + "schema_version": "0.1" + }, + "description": "Dyall's augmented valence 4-zeta primitive basis set", + "data_source": "Data from https://zenodo.org/records/7574629", + "elements": { + "1": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.29410792E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20952722E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37359117E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80348626E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21810233E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32951635E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66557370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82099274E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93685011E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31152966E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89277250E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79956932E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47030934E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92601346E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14026390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44996399E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70913732E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59764174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44846445E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06034002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.14466631E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "2": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.62391395E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43456284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25522457E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.19962178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99531480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07885465E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18149637E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69909998E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08089586E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00340814E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27163555E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.55680995E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25523565E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75378224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41950551E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63323856E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32782104E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16419965E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66775379E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.68495795E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.96282008E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "3": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02620924E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00216610E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82441496E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93772327E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.34724363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30242831E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02607500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76314466E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64890261E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51150713E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51808159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68069754E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.15050038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91800255E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16708232E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19863265E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68248114E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44097081E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73116489E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34230367E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97429533E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57540731E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89923834E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75836213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.68205983E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68848934E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16877207E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41143589E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61293523E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26902613E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44720538E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04114144E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96344231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.17431693E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73685930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58055556E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11007926E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.65630176E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.44471203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.34012231E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.94979212E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "4": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81236023E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.05482945E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74441011E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76366176E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50836569E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31555968E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03365963E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30420060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57401677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60416933E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.43414730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53276299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71482427E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32460168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15247113E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18909658E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51071595E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01994549E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27052370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23647563E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16307349E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74157405E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81946204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26613377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30144943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53363164E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47698185E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13617123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28208601E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43754077E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.32282824E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00894161E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.70204672E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95528245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.70483711E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.64789363E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78482656E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.45949584E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21947584E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.41414564E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.77918377E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.44911267E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.81496257E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.02897899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.66036429E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "5": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56072387E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07166186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36847494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.59103521E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12590094E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61584435E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95427652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22051893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30749252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40605463E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12712665E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42574602E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67396455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32316932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54225866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57775620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18712909E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44384317E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05813504E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95538684E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60198960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48258236E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52070355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22648436E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.60233816E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32053028E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97221154E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.04348027E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06776999E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22203416E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97271011E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84044416E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42913684E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.37149848E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.23442122E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.60219107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14943623E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.69308844E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.75825838E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "6": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26268487E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74102250E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77618328E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03585910E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30323200E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17250655E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51364407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85292100E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.01669725E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62052485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69163336E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12780068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99859083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97704309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48640354E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91971299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78931125E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08400011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19245583E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96739252E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94271220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23141066E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.32416976E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38203166E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46735388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.59318241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97908003E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33893159E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85889413E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06012586E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71847043E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.27755698E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25243609E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.06455777E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30323947E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.45546349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47196467E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.84486214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.91350122E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "7": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95972410E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63056820E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60179251E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51628054E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78777893E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68623836E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44956202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63305439E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13351501E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09613531E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37238710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13682901E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58093751E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75561050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19893791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51424479E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50092884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11673224E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38271659E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16480306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69044493E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10755074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16030141E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73548469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06082734E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.24118820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14302025E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83471522E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.86226308E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.91237655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.68067932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.53742571E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34244982E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05890310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84938429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.12719664E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13284646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.36664075E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.44465221E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "8": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82110194E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70802358E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.78252693E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08499989E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53030648E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28475263E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69158390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53281438E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51560748E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79636443E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15825334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51161224E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41252254E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.65639590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60311717E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35223345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31917485E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46867134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65659777E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56556652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28743045E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11855656E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53816912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29534915E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74383290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22777515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46974669E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39427019E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00895329E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81825895E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84112015E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34475982E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.64969282E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54463167E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54114713E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.36302879E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.10694347E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.82371624E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.31600423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "9": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92989578E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07414309E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04991421E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78240051E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.64295029E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00459236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13715020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60226924E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96701021E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79209496E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07524249E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94676696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53016962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69380633E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06704175E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45688519E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25166909E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86632476E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01872274E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19437728E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65337612E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27421047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96900393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07164123E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51998340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57165089E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96432022E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01942633E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25472021E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78502845E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.17582586E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79379981E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15447821E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07972205E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.38825162E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12227610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.48423006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.35511778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.49060905E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "10": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23235171E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66705732E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36393713E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58269175E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10534651E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82235448E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44058430E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81026720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47607527E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10399273E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10670602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43548280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19040176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85449618E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58554259E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18045354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28945797E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30669403E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.70885130E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.06824311E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06908062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57907421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45395500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00674062E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39008145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95593331E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62704459E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71023085E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52357572E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99658053E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.66783552E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29530804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.83707779E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.80017811E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.42542506E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49301485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.47205827E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.95807958E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.23115921E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "11": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34346485E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04845356E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17887484E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59701263E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85076947E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65471915E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.16653694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46467076E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04252868E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.62206362E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13229121E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01720084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99001210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50700757E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28253461E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.58105506E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17972129E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54625055E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49671871E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58289717E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66568880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74378679E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21082437E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64314843E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49370006E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61937950E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69443651E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76705653E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18596745E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42278785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82238897E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.03267762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67036139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68581545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66755747E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38279701E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83941405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00019127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53783723E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17159879E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05454779E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02175940E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.29169375E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20046609E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12370706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84493095E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31560035E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.41887396E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78250392E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.97038162E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03417288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.35084841E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.30593565E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.09105916E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.12290222E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.81838645E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "12": { + "references": [ + "dyall2012a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35066558E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50833262E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24126686E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39481998E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.27285420E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47844524E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.22210839E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67895560E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55370766E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88160618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17271474E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51308126E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.42309250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72979057E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90942491E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.81284448E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76894306E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38220782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18180608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79289051E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34606523E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93274023E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05880693E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17299767E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48900810E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.08299837E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70660667E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85511108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82134503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.76099376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78550969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23129797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68310540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65961289E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24316856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.70032114E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50916595E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16027227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53485119E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.29702126E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94843899E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.77999084E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24019006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32664645E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55717309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.39168364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.50872921E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41719937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04087796E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.42390143E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.72043432E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.69353583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.91205128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64757579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.82366042E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.05746962E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.40931133E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.28876681E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.07048307E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.23864231E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "13": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12228873E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.74446770E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19350635E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10634794E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.44078490E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21498729E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19495547E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76098314E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00755578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.87669181E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08670697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94741042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55290823E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80131604E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45945315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26681170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26736410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18276645E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60837367E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07843666E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26463023E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69727204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13328412E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83113354E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39807418E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.87876942E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.17737267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51393572E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27759266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81467328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68656925E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.81729455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69397636E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75418419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.24109385E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37203071E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51203602E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.98916466E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19299553E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.47193370E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66918250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97951281E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.98372237E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62619439E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19416693E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83361732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.09054245E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.63854018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.46779829E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "14": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85467489E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99085388E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47412421E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85796237E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17474719E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.00328743E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48825536E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93019864E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50076720E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10572281E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09020704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42550033E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18982444E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97979441E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06347112E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58091260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.93367342E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06176718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07436018E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05670859E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61555303E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34629060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12288527E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26093123E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09383447E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65198419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15527414E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50044713E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28186100E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25257635E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31969297E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07793637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13198453E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46543428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18068603E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22196124E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31364388E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96677407E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18722126E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49602268E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.85578592E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82256465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14328827E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.99380015E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.02312223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88700108E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.77919788E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.46635512E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.81823834E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "15": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52293110E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28322623E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78008817E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69940013E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43632843E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89924934E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82064427E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24780062E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05309768E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34845366E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20028262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95080128E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44593849E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26159230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71991785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92347118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.76504231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01977779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58297034E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32888828E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.06565916E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05022554E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46017284E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.81945679E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76483264E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.21914685E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44333722E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32619195E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57439586E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.42919808E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83457603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31728648E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.28739455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03857319E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46830159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56336140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94246012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28025978E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.39664614E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05584462E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.41310495E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85426344E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56690601E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.66322861E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.55879944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.48317061E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.66717135E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.51482785E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.35525061E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "16": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.16142169E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55349922E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08810652E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55882955E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70641299E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83366896E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16939128E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63388070E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63489325E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60453832E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37477737E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50896037E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71941864E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63670487E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42689156E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29371521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17463048E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05205208E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13304794E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62391529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61686339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80859138E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82473150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50535024E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44462640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.03084619E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76773927E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24200590E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89571039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.71319672E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39398360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57657053E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53785266E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66077206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78358081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.09551442E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65346863E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59654049E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.72760698E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63342090E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21628672E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.99691216E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04556723E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56566620E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.44032496E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.26935913E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40413194E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.83982065E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.02365835E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "17": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57549748E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05505721E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34810198E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30984833E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94630345E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66885986E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48343210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89467592E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16919299E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84125613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46371640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02676431E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97306396E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91320008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08507380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63925821E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35745148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02604762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66650895E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91688614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.18557916E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58016383E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20163264E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02703604E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12693793E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10603118E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12273861E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.22941754E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23880618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07499825E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98444333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84920905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.84906913E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31333579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11550066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74287592E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42023614E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93766710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16023011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23096823E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50473062E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22652869E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56939107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.66530552E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06320846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.24643518E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.08949838E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.38011330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.79040177E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "18": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.85215539E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14581165E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61489322E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13969697E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22576950E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.68069029E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87439431E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14930973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85538873E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14863608E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89287173E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71310150E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31197392E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16265790E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96922305E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10429980E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60841103E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31212016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.34632158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27765183E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10367621E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49392119E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63911657E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22771081E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94440172E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33252769E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51083167E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29359409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60514279E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05195604E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60777360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13586022E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02227464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99563447E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46219755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14855846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23532082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30132468E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.68872887E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.96410452E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81697309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56227967E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13980610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23476411E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31490711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.46331140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.10939690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.01086986E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.75157703E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "19": { + "references": [ + "dyall2009a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13549079E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44783820E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74102681E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11254518E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31996593E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73831411E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08936224E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53987752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96582161E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.82413497E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.09167182E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95290834E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.57195763E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80522934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46322913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28634800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82901191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66685108E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97172682E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03503073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52191217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96049023E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52677330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.87029581E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97742364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97736337E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.75891610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82402564E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49678036E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11473059E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10653406E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49278511E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.29525076E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50639829E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90192154E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29542856E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00261635E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13634900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78926839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72686327E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37197897E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21807594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35814612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35039295E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74571205E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10471140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76562732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52410076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32673865E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66889679E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79319352E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42877973E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38139415E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27811479E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87798318E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13950837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.70229030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63280260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.52412988E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63333825E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.41121696E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61969149E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.99098690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.42751950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.06891409E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.92107759E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29553834E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.49857020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "20": { + "references": [ + "dyall2009a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04228680E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16345113E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82914701E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81107753E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29268529E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38191278E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65204830E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13021383E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84974996E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61449842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14723826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05304085E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04058386E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38295107E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83526157E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51710612E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22848822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50766318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47464024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31922150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18284625E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95343272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15504707E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13150218E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91667373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04283911E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12958451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57966129E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36436457E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69852566E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77469743E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26579828E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99250811E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01201931E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62941937E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.20126371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62087687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19192000E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72247713E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86053748E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46603651E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.64564826E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03210840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10677559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09079258E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61328900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86357468E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29433694E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32649059E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03511566E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44643293E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.17935013E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.09873647E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70417082E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.56538402E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36206950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63218424E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.17542957E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29192334E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97600263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.74015401E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.14450020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.99058802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18385168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.74741005E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60298687E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.76716670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.86062450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.36690914E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "21": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04694391E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26845735E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32491991E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01593035E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.12695186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71976789E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10393775E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73026015E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12699122E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94620753E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80111360E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38336815E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21307065E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30543985E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33370352E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78751851E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70331313E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31725155E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91774117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54885174E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43494627E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64290702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53694524E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31789957E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84545000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48586730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31924554E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53869419E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77290281E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87205318E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.94184039E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59253008E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47033426E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09369459E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94921871E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.33442949E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07686365E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39242267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66183922E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32249528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70099871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.86934981E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.68053991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44757107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26696168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50384966E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29768774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47291316E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.08173966E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34872417E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57397767E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.15945857E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02572229E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83869110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37497256E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45777705E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.65777659E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18655042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56324644E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.63867006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67357935E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72864587E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.89625633E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.44155142E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34711092E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.34575417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55104026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.26351076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35352306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.29698615E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.00363825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.02699687E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.04605908E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.21534746E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.99603610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.63681233E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "22": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08249475E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44527181E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99869767E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25526531E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99949246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06372142E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25038087E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36667905E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40362397E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12070599E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41881953E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69614015E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37230189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13571503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78108239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03065213E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10154897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02390005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29884618E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75369047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.57312795E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28075846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89004489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50824452E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83930834E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97882926E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50008087E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45476199E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16565237E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03821881E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29663677E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92874603E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96375850E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22403881E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28977209E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.55831503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57038782E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60860327E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66997291E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81645608E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95189652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01773635E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37497060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81491583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45721728E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45969867E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75774226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65502456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.84083915E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65281665E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69103875E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.35095166E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68983632E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08664625E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15796147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80747938E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.34825903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03937170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00768518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.96374567E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.86948322E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.32322345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06965398E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.65931893E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78155358E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.51065624E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.32161344E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16309110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.39061751E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.30487518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.46946080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.58217530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.73244108E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.68097113E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.38487767E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "23": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11669596E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61849501E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65729493E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49371700E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89221781E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41095052E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39212147E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98346593E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68891755E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25573683E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.06008475E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00899163E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53242046E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.97972822E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23279407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27822916E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23998805E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79856949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72558276E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97660582E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08034422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96194784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26502365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70050638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.81553117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45277123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66845223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24353756E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50338278E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18141527E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65770471E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34546846E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57759385E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.60012792E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68995492E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.95447257E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12359597E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84872238E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78455704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36140542E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22845195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16168170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13679212E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21528320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66249454E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47453822E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23620880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83531417E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.57015093E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93613595E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79771449E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54106095E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31234295E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27323709E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.88478350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13155268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.90143156E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.81622561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40668223E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20114224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.90063212E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82663114E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30389930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.66550963E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14928311E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.41795532E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03925896E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.16860471E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.66078348E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.06646202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.30708872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.36296677E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.22307180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.14109356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "24": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07994817E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49640006E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23382536E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34324672E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32309928E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18220237E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29641482E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56973330E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50349329E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17028799E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64851040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79850012E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41909835E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34531913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86932007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07005354E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12260399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.14860096E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37962845E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82272135E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00304346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54067579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98874347E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59215248E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.38750984E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32271465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61206536E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.21347401E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10592201E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05790041E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49452817E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75368550E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16840314E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.91740609E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07526078E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13105675E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66489565E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08497637E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.88547044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90082025E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50247803E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30456256E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89443182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61393655E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86619598E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.47721508E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70622842E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00698997E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.25111502E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19844711E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89580992E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71860591E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.92934962E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45460331E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.58446074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44200972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13870540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56074114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78888840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39678264E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88077493E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30135093E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52277720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.59253051E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45665594E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.26436723E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32623476E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.09799939E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26626142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.64420847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.08681624E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.89935722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.75121341E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.69347549E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "25": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08358536E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57677885E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.68986271E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55628245E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.28607333E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61894043E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49838559E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52691847E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96689701E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39707288E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77570527E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36996946E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71370979E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89311140E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70195160E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52681578E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37593293E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56178296E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16459650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23208023E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22707927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80027209E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72982759E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96843454E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02621243E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19318560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88852392E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00897473E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93281092E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38872488E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24483861E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35569567E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.03906429E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18151999E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61282357E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31494436E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.38181475E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39176317E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12916857E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58082163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84442093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48096904E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.82073921E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09700552E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11055882E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06613714E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25178424E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20888831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00408457E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.49136286E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00024396E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90870505E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63056484E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65863152E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.36332347E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78424450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30109129E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.36815601E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20035402E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60576376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.91783634E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.79743802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74769583E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.52334828E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74706978E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.12254163E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61661013E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.03844275E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.57031710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.24161701E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.94059985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.46587816E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.18480562E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.02584227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "26": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09543802E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64280244E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.98451059E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68907137E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.90338733E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89899022E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62404418E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08812223E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21705496E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50997933E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30045705E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62491821E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84474910E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.60320753E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09809838E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74968103E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50207128E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28172557E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.57564901E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45679462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35453098E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51976857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12930088E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18198998E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13558431E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71934228E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03196351E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08335386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25424091E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52180323E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.60319821E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98674721E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.95186813E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37949829E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16651113E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50138179E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09867922E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69549321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26747546E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24619525E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17764989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65271160E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72344143E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56973310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35023188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18271242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78947832E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40230371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07806313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76220091E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09569409E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.08077971E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.33761805E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86315774E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.14257727E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12622652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46334951E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.17582003E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.61150356E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81396818E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.94663568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28694260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96835386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.42899876E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.01959344E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.97594770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90287708E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.95558589E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86396713E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.85699386E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.08568691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.05604862E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.59389083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.30142031E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "27": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09197104E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69684127E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.36036599E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87096299E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07009700E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23082280E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75972466E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65895577E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46834587E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62607403E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.86530678E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91383136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99814390E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04314919E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54799890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99622799E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63865136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04090624E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99561822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68639019E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48223526E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22332540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50303747E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37642118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23336227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.19068652E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16146945E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13777978E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49565076E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62930508E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91308049E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66107891E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93196652E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59217515E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76166541E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70256793E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87650517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02620406E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41811754E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97011401E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.53982339E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83900888E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69925808E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07693623E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60490016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30521505E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34826532E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60003312E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15228523E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02977843E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18841512E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24611436E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.06112917E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07202425E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.93763309E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.47474506E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62861892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.99853088E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02973032E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02514731E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.98577656E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.77862774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18853796E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.32502144E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.28631722E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.86729740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20164704E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.91306950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17067173E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.51557269E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29351188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.70533949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.00829707E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.61744073E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "28": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13133295E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84821113E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94684600E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08653159E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15203336E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.56858271E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90835410E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32295369E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76650765E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76244611E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51192378E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23135321E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15795338E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12575248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98957771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23793780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77116095E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.76266012E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38794371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89134685E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59504975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84531811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83975704E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55612549E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32636300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65424637E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33270509E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21209696E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80965648E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76061546E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.27220670E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.50909017E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13761782E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84726900E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.45698898E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93233270E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.74863788E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39200223E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58326146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.75906926E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93291889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04061853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07536737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.62521016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87959990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43682299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94517675E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81163223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23027553E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30432841E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28110071E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40921899E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.82426697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29144402E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77117128E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83956652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80150010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.85897895E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46691185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24563246E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10680795E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.28838308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41510581E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02363788E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54476131E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.80443011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.51508374E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.91667774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49191649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.23943362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.52870080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.46026478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.43477379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.00215821E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "29": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06872119E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66744889E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32084685E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85372185E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05716588E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.15523541E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72125855E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46651318E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37594158E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58274777E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65963613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81341193E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94844089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01917036E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43721911E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94505890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61280846E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89318870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.91341383E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68150236E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48861735E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.26190684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44827667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38614399E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25949069E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47062924E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35907386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16236240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61592643E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71414234E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28799346E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31646686E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.32844607E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10521881E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16751233E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16769364E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.64219102E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76669950E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75228814E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.56556241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33437593E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24649747E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18301059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.18409401E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15894716E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57034545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.54853508E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02107106E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30599794E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56750898E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36890801E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56220074E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.55532041E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50526957E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.59241857E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20116462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97340960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.71565538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.90109836E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46352577E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21320102E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.78744029E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63636175E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11244573E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.79618784E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.77600324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84162367E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.96850736E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.83056920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.03069294E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.79443678E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.33935881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.87565614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.15320412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "30": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07593155E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72212271E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63858453E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02261612E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14351473E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58015421E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92983368E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50176886E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89529499E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84643855E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.01429466E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51577818E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31532927E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21208457E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.45998850E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49483438E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91466131E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05913265E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88244907E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20021039E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77849857E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.90913672E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42648814E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89471392E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51472192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66765942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63572624E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33872831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41048704E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04414989E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29571525E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.39336047E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08946717E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43910723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.06956198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46129189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74194990E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22354877E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95720571E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.54050737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81922318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49489763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31302824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86363894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49744915E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73082185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26719830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28392657E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39952619E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88121713E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46876869E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.79667381E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01852954E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96503030E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13204871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.95718763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.33426173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15260581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84568111E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96207967E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47423241E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12946600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29856175E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40880452E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.80750333E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01068672E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.31518803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06702579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.43432718E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.14128641E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.20146922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.78654579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.49186354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.38472241E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "31": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96089449E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44831720E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61552488E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65237057E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01712385E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20623898E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84428794E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41297024E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95307377E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90529584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.39666300E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72979768E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42518429E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26480781E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70024560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60443705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96990836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09120155E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09090649E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35830923E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89034268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07030753E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.00108724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22591019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71590896E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90966451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61458973E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87413182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04125769E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23405667E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43950700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59297069E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33812938E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09422688E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41733512E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74137088E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81743374E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.69292056E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50283993E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68571886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46628691E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38118144E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31883166E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24307375E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60221463E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44178031E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75991005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72010115E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66397680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59088832E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.82556004E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89847306E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37490210E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18749622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.44560184E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31308059E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74935081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71362840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34399334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.85110343E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49998836E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76630535E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78040415E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31414477E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09574474E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.31207616E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65498270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.90072500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.04131130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.46164590E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.18122790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.65550470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "32": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00653301E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58795422E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41614651E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02809507E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18621897E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95354821E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18392771E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00281015E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74371108E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29278607E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12808505E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65111021E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88553310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50131525E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.94974389E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27963357E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33911242E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29436321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20898126E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95951913E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22307777E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25502237E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01764419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78397160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02511406E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06110439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48212851E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33515093E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13079414E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30643062E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05104990E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96655628E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88679730E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25057813E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71960290E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.67928160E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15315228E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.03753985E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.08978721E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95930546E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.81027836E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06808786E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67899686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43622490E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.64995950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99943429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05526181E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02937774E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46925847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01059196E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85077118E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80829013E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37177200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38690362E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.00377886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52301112E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.66744668E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.15302506E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56526170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.01195213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12025569E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09917493E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05570626E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.22133441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52826930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03879707E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64866480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.08270040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88572650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.68909550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.52867340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.82621930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "33": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00115508E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58411384E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51118879E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13773139E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27769747E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.57671019E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54374901E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18326795E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58488516E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68076037E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31031973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52903974E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32155388E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72529899E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.13798749E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92727302E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69728368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49216984E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28794948E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53466741E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53952188E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43043651E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.98826495E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33298452E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33589497E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23815991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55919721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88711802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39917947E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56551668E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63039550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34152350E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44580797E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43814585E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03056622E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64231339E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49574806E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03974177E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67768089E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23097254E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11341935E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73962472E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02860403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62247284E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65461989E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53759510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34664734E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18965094E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.34791674E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45230350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09406101E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73862323E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84298270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60183683E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.60418243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74788637E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64659826E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.62104908E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80125294E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.25291461E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78630940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45993056E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25268972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.30122308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13727739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31060278E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.81977150E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.95325010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27299900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.87179300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.01828780E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.18443750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "34": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91593101E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62169775E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89176751E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37340512E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40999323E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26665742E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88825184E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35034653E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.37195391E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04676530E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48546827E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.40208285E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76660030E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95394995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03146733E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53049132E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00772447E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65609510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.18101699E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02849306E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82504619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59845844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98132089E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82168403E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60970398E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39454081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.50176260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35849381E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63814063E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71081154E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09295140E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75309494E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05936956E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.73316063E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36574648E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66184434E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85273973E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17994342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27857691E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50591044E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24587055E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.40482645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37325844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80608927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.64781233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07098484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63733412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35088575E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25167048E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.90391995E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30783230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69184458E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29359340E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92909664E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.50957204E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08581489E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.11604116E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32554602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15761535E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11367515E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.80495566E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00791395E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53558403E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46980965E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83603244E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61867736E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.08413320E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.04177410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.78907440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21981070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.72879080E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.64188720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "35": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00415163E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66835159E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16122790E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54871889E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52639226E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.93656921E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21216590E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49349131E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01983430E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35721480E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63924554E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.17116242E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.15362236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15100296E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13360198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07162395E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29979165E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81489395E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00423254E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49563078E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08070264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73917366E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.75798563E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25758346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86830634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54951182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.47947017E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84705396E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88856063E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93378600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79753920E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15366937E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65842980E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99991800E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69431072E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65996047E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19973144E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31485999E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85166374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76669702E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37132015E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.03587068E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70147396E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98159804E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05994892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58469383E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92068966E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50996211E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16822317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36348190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52633693E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.67243501E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73860940E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07164147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.89926605E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23008156E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.73759806E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61836295E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30405742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18973726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.20836310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23421738E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67913744E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.70266782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59929469E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95251173E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46060710E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.26946570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.41662860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89005820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.57431470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.16364660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "36": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.80722628E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63969789E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.30612463E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74159549E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67601811E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77127691E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60917773E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67521319E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.84716204E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73282723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81147914E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98468478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.55336554E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35434426E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23954892E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.63242454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60035699E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97765289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09263619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96935037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34963478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89573982E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06813258E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79511323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19234244E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74262663E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.68140330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46194139E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19473481E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03764968E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66263520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67939166E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44893307E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16639883E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12188221E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.94980123E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64614471E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48758974E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58162901E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09679495E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52857063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.81568824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09922546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18965038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17020768E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16536132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23295894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68109317E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13485216E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84708060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75633980E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.70292298E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26996990E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.33030445E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.60368013E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49060085E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08617705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.15265824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57287980E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33084094E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.96609746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64680991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90635777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.99546949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42127221E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30943434E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.82441930E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.61765760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.18637850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.31587920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.51236770E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.61505000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "37": { + "references": [ + "dyall2009a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.73958229E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61676114E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16368028E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63865865E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60167190E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35046542E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41375779E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59124566E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49457109E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58708009E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75279641E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.75675702E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46648281E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32036001E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22563274E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57593134E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58035601E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97317822E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09373014E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97614010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35199848E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89225083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06247497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78753508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22568727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79245141E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25002079E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88806380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59275782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38239249E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84073663E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68561384E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08730430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11404763E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42028518E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18459002E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23576209E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33474942E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55679260E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12623300E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10030292E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66370677E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.32930016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43848992E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69471822E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66470920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54749243E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43255355E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30762619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02822342E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79181379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04445875E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05989893E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42063058E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75166935E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38344281E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40500561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82981894E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51479598E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.85788837E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35514806E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61377959E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.37076534E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77322450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20777746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72982528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86337217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48357570E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.78927332E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09748029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15861511E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16453489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.90598179E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08922669E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78357852E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37758178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.84077411E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13732908E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.19801056E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.96040680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.69831621E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86299060E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.13594133E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.44558010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "38": { + "references": [ + "dyall2009a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55372301E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56470515E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.95789436E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53612758E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54300054E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03610613E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25120967E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50916912E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.09560096E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39843202E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66285615E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31383055E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24351505E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20652991E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16548935E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.24148632E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38682170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85963785E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02837368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59664725E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12340456E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74818624E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65172924E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27821659E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92273323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59024547E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67209709E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59933247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40663492E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.11697936E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07010959E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63090233E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35951434E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80493727E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86588338E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.30259222E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56698157E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16406523E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30806628E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71628020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89775088E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.30621836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.87584493E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90102122E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.68009307E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06438625E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70484835E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45106614E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79708604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21463384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28964235E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21706460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.37305209E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34638438E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74857191E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99516503E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55755002E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29961397E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15323828E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43741042E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93562364E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.23516939E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09066953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34402971E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.37537132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18771441E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65372261E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.70330779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59365637E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42997343E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33601235E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.46617783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86748937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53901049E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.05239054E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04144636E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31750491E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.23414361E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38624800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27202100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.15870771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.07981880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.13323090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.71360959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.96748396E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "39": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.48880343E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54355230E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.82661415E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43478415E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46818402E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.59179703E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03201372E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41184889E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69031475E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23811123E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60059066E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07208760E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14623890E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16274453E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14480171E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15374620E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35645836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85207151E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02909322E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64579321E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17401891E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79035564E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.97054657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53616050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10982533E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71557009E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.28897869E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98860963E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63553881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09898413E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65831728E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88494081E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48330882E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.62800202E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71076500E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62632048E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85160803E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90181130E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52936102E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47128917E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18568575E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.50825927E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.41481861E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15689898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09538322E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72026532E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05258438E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63926791E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.88111617E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86595766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70890231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51020794E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.18872852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42116112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35291685E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11203579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54703962E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73898293E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34107904E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86659355E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.78413353E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81826222E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.65850063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84704547E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34303151E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.75192723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.53830368E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91209284E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04735920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74902586E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14475028E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68071539E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.50346226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12630425E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94358547E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83555742E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81662103E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38761426E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45867720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.13780050E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.39158832E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07281768E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.28418158E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.76139400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29799520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.25386864E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.25835205E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.19450700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.36519333E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.88397800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "40": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.39294069E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51328129E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71427083E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37774108E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42040122E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21592790E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80287718E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29756974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.16722660E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99839210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48753144E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52842236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88579174E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04213466E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09057128E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90480324E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23294126E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78452022E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89786678E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47883113E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08232732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73172665E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.44195762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30035571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98293120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62495294E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94041483E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90905393E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67472714E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23482899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30413099E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24525160E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68005294E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99039164E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.37184502E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.68396861E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08208731E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.50751472E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71216448E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09315194E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42126199E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04859583E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.85167089E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36397299E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19838245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25122150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33453295E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79192293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69980454E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29947232E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93182201E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60798608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62340301E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60807028E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43474679E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16162779E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73036877E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83410529E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39284814E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83696306E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.15814742E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91725742E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.02671948E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00966036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42232464E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.16275138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.76022175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03561382E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11718870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15155501E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38144371E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82221409E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.36531788E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66008152E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25525852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05205041E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.64519647E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82406753E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63285940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02399187E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.36807069E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25481121E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.18270400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.46379060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.44824198E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.01300241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.71000800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.46936917E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.15645630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "41": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.17834910E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45520647E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50711756E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30491081E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41404384E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38703773E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95737230E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38064612E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53275238E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15010847E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55181187E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80782634E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.00604611E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09113132E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10821116E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95534910E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24222045E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78410289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88010847E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47888627E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08072927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72837742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41934334E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29584485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97987320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61633465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.78927875E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73724928E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48056494E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20933198E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05408902E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17265366E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70744561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04305224E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.20053149E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10342579E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37776084E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.28086721E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94339115E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87052910E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71242149E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16824435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.38139705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61266891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32081517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87545659E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66216071E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96732657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06470485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81394180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21745455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76787396E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.49434243E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07923154E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68393083E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27579823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24111220E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05697444E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48693879E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98257752E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.51052159E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75735289E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46980817E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78015101E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31667518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63098684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48068136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88072472E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02736565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63503439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07910262E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64555685E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.45857954E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20175745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01929231E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34711011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10301204E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58845494E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52701315E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.37430649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91072117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.36907100E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60147040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.51410503E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.88657174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.62190600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.24395997E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.08132010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "42": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.97647920E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39995988E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29083825E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19804809E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34508362E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95878766E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74716553E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29413107E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17893660E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99485816E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48125723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48948161E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86111974E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02169032E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07331397E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77850191E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15299718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73712520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.58532388E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36880264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03567495E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70966176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24998043E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23965788E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96583949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64023573E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86859328E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73375966E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38273606E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21856526E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09518121E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16166758E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65394412E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95752730E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07327488E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24962998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70175549E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.13240185E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19820339E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72605495E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03199789E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29918096E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.95950304E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88341611E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45392630E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55470125E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01957346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15954630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17077997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41327324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57065628E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98079165E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07103262E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.74287895E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02396414E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40226566E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78151377E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27999640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57539602E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13740837E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.51052159E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75735289E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46980817E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78015101E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31667518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63098684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48068136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88072472E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02736565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63503439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07910262E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64555685E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.45857954E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20175745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01929231E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34711011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10301204E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49984112E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81106029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.52515500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33727868E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.79092900E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.76797800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17046736E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.68264253E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.22754800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.19422842E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.73140930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "43": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96248061E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39064156E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22079709E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15380620E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32025444E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81514358E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66002779E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24868500E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99038202E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92835142E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45775577E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39141597E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81646745E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00350331E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06742079E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76650965E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15395310E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73845692E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55449571E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36024973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03475748E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71373252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.34476936E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33563567E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03532684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66325251E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02083266E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79840149E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29515729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24313575E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26077215E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22834841E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64995440E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97004111E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02402613E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41065723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06188313E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08554268E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48466517E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.68827920E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39052808E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44545138E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60200974E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18272005E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60026948E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29731709E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40807361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36752533E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29989204E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29755039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25180366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50580931E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37533845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38313311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82848841E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69682265E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.11250696E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80728081E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76572426E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.49135107E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.98450029E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38268635E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.67959251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.70580828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74916219E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.81350571E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.63531997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51635024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38673054E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68862540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.27066941E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.33826012E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24018901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.39237800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.19853010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53843621E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.95166555E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72672868E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91277213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.81936146E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.36464188E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.88214000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.97015390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.35722453E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.35279769E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.45093240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.45784268E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.15261420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "44": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67995959E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29382300E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75456770E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89899329E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17093236E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95936475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18461459E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94937078E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.68030284E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26815862E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12867413E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75447910E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00497951E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60545129E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76429266E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89193671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79562947E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64120558E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00361133E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40557464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07542606E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54969772E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59675967E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89415316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01321649E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54064429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95698644E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07759711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75886478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94873639E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14046375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17039851E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37085595E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.63519219E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.83428848E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55294950E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38516943E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.94803460E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74423602E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.55725794E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71274861E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57632983E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.17564463E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45015622E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73137029E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96461003E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.75754209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55409041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39087499E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.71842841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44632521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63303987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48086140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.04670229E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.17805734E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86744880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.75225638E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02796064E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83984361E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.62157951E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.70641691E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31173300E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.42640720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59780655E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69695262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.53411826E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47998692E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42571020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33144253E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.36227453E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.07328349E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21509541E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16705037E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.95593892E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93720576E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39001633E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.18087625E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23034038E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.39042326E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.90437153E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23510964E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07837000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.61790024E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.41752884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.80584300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.18648429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.95494800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "45": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.65528664E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29015135E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75307298E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90148746E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17384456E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98313075E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20139402E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00564315E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73961199E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29665635E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14204953E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82148220E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03773655E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62031398E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83118319E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92226094E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81012736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65038138E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01200509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41489690E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11024043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59155868E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60465660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.95972016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08590376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59962537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96246820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08541693E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81788139E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95298949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17330737E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28113903E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41570950E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.76407518E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07887173E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72049534E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76638327E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96687313E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05158979E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05856934E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09162479E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72872147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.83639928E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75485884E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87933624E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.71315494E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.14855091E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76304220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49693488E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22783493E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64019333E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65254785E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46018892E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.88359197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10990739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81427808E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46996856E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93033944E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81657233E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56169078E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.32362702E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46217102E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.93421762E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80144277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78708063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.95182215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.68173642E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52467594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38031774E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.62316562E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20831250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27692242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19134854E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.00744084E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90585746E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34223627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.80303882E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82515958E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72353261E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02594380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.73889855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24630000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.85263469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.38120578E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.12706900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.36747079E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.55823600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "46": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51812592E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25312129E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.62674848E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85501661E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15534880E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90874551E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17267560E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94069531E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69022637E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27618592E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13377650E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78544068E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02032095E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61177183E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79174094E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90499196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80040394E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63940376E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96487026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30808423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06321205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56797833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57773802E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91160850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08221670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61998698E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97763589E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08906546E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77993974E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78806570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19297678E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37702384E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46424189E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.90032758E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15301095E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85634615E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07999144E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08063449E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30334336E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14221656E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39871976E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85232935E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37377002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00327119E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99987929E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03195143E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46198273E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92773111E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59382173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.86034458E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.12111954E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04772554E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70254077E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.19914931E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74215051E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05181526E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.47558038E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31372377E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95020699E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.80725077E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.24551095E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44336371E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87409461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77945519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.77897492E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.92667875E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67798703E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52679553E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38266702E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.63647435E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21421514E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27993188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19299190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01255077E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90324739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33772176E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77825219E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06695162E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.86610434E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06563510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.72280095E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24093400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.04666180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.13684776E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.37894930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.51283301E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.04277640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "47": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48891523E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24801230E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.62438887E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86055954E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15965255E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92939899E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18198792E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.98411680E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70679206E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27890856E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13124763E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75332969E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99877414E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60172857E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.75654182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89165391E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78852819E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62443801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86086937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28069484E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07799824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58644148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60577541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.87584049E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05999232E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62654553E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99713269E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09599752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77593340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64375865E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19962261E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43939092E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50202023E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.00626826E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26556837E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06382482E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56349994E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21179486E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70275223E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27626808E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89244671E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05072673E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.23331049E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39936297E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19206288E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12911766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.96947967E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20001156E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73503427E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.58240254E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47117471E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20131958E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79090024E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74489090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.04624400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14257417E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.83290668E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45900405E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00794840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90305836E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15052764E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00301320E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08201828E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.58361687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14992839E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07795136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.64961893E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05863444E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68196766E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.33928624E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.20513639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86083816E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52523078E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.87359839E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92251598E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87141456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.33940475E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81532824E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.33094125E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27994082E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.71950493E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.57316830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.35526355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.62426587E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.87475520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.73565663E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.78552200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "48": { + "references": [ + "dyall2007a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20023173E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17441096E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.38458457E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77325105E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12639702E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80055304E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12972215E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.75883209E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60704465E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23605243E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11376057E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.67999973E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96231491E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58052044E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63725283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83889756E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77785149E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63296054E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.85753247E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18810565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97675034E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52557376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55860220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.72812221E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99805963E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60179992E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01320778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10757231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83219975E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32796825E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18064947E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73965776E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77203739E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.87030197E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38506049E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29325518E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.10539203E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35914491E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14974331E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42545570E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43782949E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26810004E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01681761E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82736834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39834541E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23259002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50417353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48314679E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88440827E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03743216E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88581814E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38132404E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85942001E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96850609E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13279905E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16102745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.85419757E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46412681E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01364746E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.91697447E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38458253E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57970380E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28115651E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.40216858E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52604275E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26564966E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63821936E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.60303345E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99217794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11269890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25547521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48041742E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88236338E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.88473488E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.02544664E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44708899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10682149E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.73655661E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.63131702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40791020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.29555127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76518400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.63745469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.95665443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.31888500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.95264687E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.50882300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "49": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.15588245E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16045574E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33477450E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75473708E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11752317E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75031204E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10031399E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.58683237E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50823159E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18110960E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08447170E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53038708E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88744113E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54276410E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45133951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76109691E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75869671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63645634E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.98331809E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17344602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89196819E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49764133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54309278E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01226513E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35325824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83725065E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20812109E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23484177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.64108187E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82023340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46951339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.27042078E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51420024E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24202530E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14285261E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10703479E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39835192E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12827356E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32812540E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.24543567E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14156932E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28026580E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56784261E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56979056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24621086E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29312238E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28629638E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76154495E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62510513E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.33583798E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96794314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63502866E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.11368009E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07673330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75164607E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44337869E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.33302406E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38865368E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48397466E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35997650E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69840652E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.04303040E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62905241E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17442205E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48416435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22726937E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89889986E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44741769E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56912295E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09825860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26442772E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26477037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12674685E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98695627E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17753145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16612944E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22156071E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41625730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84820517E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.26727498E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39659730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00472350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70975610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.58982580E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.42676730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.39331310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "50": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96795500E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11119522E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16696365E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69225712E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09392608E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66481899E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07119015E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49506494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48270474E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17399110E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08086310E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49968365E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86206988E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52365581E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30254969E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.63322519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65118336E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57309286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04467316E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13295895E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47433517E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70077218E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58933254E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.77317714E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01995245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71106157E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27068593E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34243415E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51652042E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50622525E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85093891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.21194301E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43489075E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76512510E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.35240669E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.93626260E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66826171E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.00364173E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62508245E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36979134E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58154675E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45827428E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32551995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.90565733E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40227219E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.05148797E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66566945E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95574797E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06434677E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88793257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27612146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80870206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00907428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63112444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05778465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60852839E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22049370E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79623210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74936279E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77264302E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37443498E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23809670E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81464427E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61331704E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63137076E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82315856E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17168340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58413900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.29945687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.50715619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50183081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40479225E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96553731E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.49050650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47535735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34007678E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.21422907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95454416E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15733668E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83341652E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18999240E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.99547860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51527680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.55347420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.57815540E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.49230010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "51": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96183736E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11770846E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24859422E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75776115E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14329604E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99844720E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27945882E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07192363E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17368532E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55332333E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28692474E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.62033548E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47390862E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85796473E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01284262E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63772738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21324445E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88100672E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14093315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08796491E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44689041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77199249E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72432481E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08915047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01556281E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51396529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78364080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60957886E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89378396E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16431948E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23007258E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11345555E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35543852E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23121840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46221985E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01575242E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73713577E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29076973E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74815689E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.81812873E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74972535E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52932859E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.63693278E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05255930E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47582981E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.42560194E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86085028E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05997565E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12083771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.19960605E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45050581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90776728E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06780077E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.98157113E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27450729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73958628E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.00011195E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19048142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98678088E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07208894E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01806964E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59725590E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02828772E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.13345512E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80825272E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.54321537E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49975947E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74617448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.14523329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.96621556E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75900582E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55087396E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.80992657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.98159467E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75855835E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50373012E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.18803797E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61537144E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61884581E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08787865E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09333000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.50108840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76260620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.13555750E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.82470610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.73454560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "52": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64921967E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03542260E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98011284E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66692233E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11057307E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87189939E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23301043E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05935164E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17247054E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57889872E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30739978E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74230971E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54575394E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90220278E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03868905E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76133414E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24520201E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86056671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16255975E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75677524E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02273345E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06791292E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82195171E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10037387E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.72631348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36188584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98886509E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81337912E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01746450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.00002959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67445531E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33179820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.37403776E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75395450E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36474997E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00682219E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73666052E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.33201925E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76752445E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89387210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77871882E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53797598E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66109925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05449776E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47228205E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40299262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85482156E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06264274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12714149E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26637153E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50578629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94713640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09734793E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.18387767E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41397530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83771080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.67533600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63236006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22726041E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03408124E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64368215E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92004040E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26643760E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71896131E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00761489E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.34712110E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86075576E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92186315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00516991E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.45435516E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03152607E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70557763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.70334581E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.50009364E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05625000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67393921E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.17817885E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.31938197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14870464E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31570142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.04211430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.15526450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09779310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.70910550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.23230650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.05033950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "53": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75365422E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06052271E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.04966800E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68476767E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11295770E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85414028E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20826551E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03787647E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02023587E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49017141E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26462518E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56464598E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47778727E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87838395E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03424435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81260331E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34671847E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00232310E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33637605E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86420817E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54897239E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37188981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02948805E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25764128E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92589996E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99285613E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04826068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83146114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05865773E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59420261E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96538666E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50008039E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26099076E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20971350E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44372215E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03169623E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82766903E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65131734E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87398191E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02689658E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92117613E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59550559E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.90789337E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16803140E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52745737E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.68260494E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00298566E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14421578E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17291115E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52493038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65241026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03134259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14805683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48843926E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.60113357E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95898028E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04660173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15039002E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50180625E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17406775E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.31584035E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24757710E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45319443E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15612266E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15091401E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.91788278E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11843081E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04852930E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07114742E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.81282220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23298023E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82144132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03853878E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.90439528E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29322752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81477002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00379286E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.05033104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.72516891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55800800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.03152200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.88274980E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50201210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.48745510E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.73129560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.41630560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "54": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59319702E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01918471E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.91309608E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63380369E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09275933E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77350472E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17435726E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02200669E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94008883E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44884159E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24332346E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.45528007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42234753E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85153999E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02289931E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77979942E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34913890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01130530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32253635E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80314465E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55872930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39231809E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03080521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26921523E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.95474085E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99886482E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07079790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88151538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10615171E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82742939E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11565390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59906614E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.84762919E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74089730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39431194E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01937765E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77691569E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46774034E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81825550E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00908058E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85988085E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57325284E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81865918E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12812676E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50844345E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.58874581E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95642406E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12254704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16479160E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50731143E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66003409E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04705152E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16487329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61504258E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68472204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02720171E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09803359E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56044183E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72967227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29675711E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.93397399E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63098780E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72820379E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82428024E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37700822E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.82865401E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.52809791E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24862765E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17497255E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.37438987E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54706631E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99927697E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14032726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.48690963E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.62270352E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99926928E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10444484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.77357405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31726720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80473748E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.98668670E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.65710450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.99535370E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78074850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.28683850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.70002530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "55": { + "references": [ + "dyall2009a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56993653E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01329763E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89490825E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62818427E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09176973E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78066202E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18788502E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03644245E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06504519E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54283605E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30750958E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.87051031E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68664105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01751573E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12364489E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.36761841E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68554501E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21358153E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47666159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.79743498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11112535E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69439838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20416984E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36050968E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47558947E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35510643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44998085E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14952350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26264554E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35447353E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59597528E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01632698E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14255913E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79936092E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02464378E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72632246E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55162290E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96669905E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59845667E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72484823E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00206142E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88343271E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90482495E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.68756552E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52821479E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02608753E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45271353E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05102520E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.93565201E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01843599E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62227958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40740221E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72421037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28742650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37858349E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34356420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.61555768E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26052399E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34967096E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28568380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.71272513E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44562252E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76153140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81000899E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55718128E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35152640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33829068E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29297222E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17216124E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99798311E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.49098284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60745579E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07862419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.97551909E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47545482E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29685204E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.05580384E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94211916E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23268877E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28064163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.34054186E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.14647563E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30931791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26088236E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.17315850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62108299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64734010E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47572050E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.27418521E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.72859538E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.62726953E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.37353060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.63788426E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77015553E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.26417444E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.37204190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "56": { + "references": [ + "dyall2009a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37388272E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94803054E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56010377E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43108156E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70052389E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05477165E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76574757E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96159014E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70714970E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77608678E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72900250E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39649085E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27436474E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21306588E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68408586E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79284833E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20232947E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30598997E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.55478998E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02855058E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77113332E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14399177E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32899589E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11487611E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92386061E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86621500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66009593E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.82460306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31575024E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97097994E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62744353E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28253466E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96451982E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20441521E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21986203E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68247123E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76392045E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28775538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18716361E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.49360489E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12063562E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50723715E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85188035E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15717007E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99845658E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28785472E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10212147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54593889E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89299348E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55226694E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.52515843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76061379E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69877687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55613760E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.00000632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07854833E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80450113E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53992176E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.24328218E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32584646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29937224E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22668999E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.69637262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48021633E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83032925E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.52782065E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40468260E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41452622E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.45103332E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92184426E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20459007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.54334768E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75208829E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43921158E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.81527999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.36160528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46941403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41722578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.14661766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.63030042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59880677E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43361915E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.25638725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16190815E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.49088560E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.91892247E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15146148E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.82214488E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.25376961E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65965840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00671117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.16082287E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.24537575E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.82686890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17713152E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.93919832E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "72": { + "references": [ + "dyall2004a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47809345E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72387455E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90491011E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25008893E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36173721E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10749588E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88326839E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91518258E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33765821E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15894817E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09739637E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69128016E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01085242E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62508910E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.95394994E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03983348E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90355038E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76319954E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12705251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18883517E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39231468E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72421836E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65056631E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.79694344E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69264784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27580439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78898180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01760706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.67979390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11903444E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59324148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07156157E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10779184E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08357474E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.38546931E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.19230290E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40403882E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21351654E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37737586E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81947646E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78593200E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96407595E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85210241E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22687891E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54127387E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62120707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29276419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61143479E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48338321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88145714E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03397689E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.74666123E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26124974E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87750408E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07620094E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04306766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36610190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81112325E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.67234667E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13140394E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69983288E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28013256E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24296454E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02888266E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46073835E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.15738647E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79329752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16328145E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92472058E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58204057E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.14975718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49239894E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79913097E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.64155853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.29088237E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.95881231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66084828E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.19428978E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00225446E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65284811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33960174E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.29085454E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81969971E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20542597E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.83547295E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64081672E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.86053493E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37090970E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43925960E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.90049941E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.49717598E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83671102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.71187019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.01334924E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.45394274E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08768445E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.07579089E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49703590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.49860520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.44370940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.28700547E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.60992645E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.21975600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.28482405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.97935540E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "73": { + "references": [ + "dyall2004a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46385144E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71916595E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88214532E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23869723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31099859E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08823719E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87647550E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.88730822E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32192700E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14669285E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08634210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59608167E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93735610E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57266245E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58892974E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78700858E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75744481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69644659E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12619616E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23711811E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23258981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65784338E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62117991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.74288796E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69276856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29667556E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91103368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12477953E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.36222297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62301733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66672325E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67249502E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43398765E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24035067E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.66670283E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24198487E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42853500E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31271182E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41630092E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97328186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84880539E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23019947E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96640239E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27643852E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76082521E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72231461E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34165997E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.85970856E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61453081E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95273960E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07353356E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97242734E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39134522E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95292677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12013657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29264213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51302307E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90272035E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02035646E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42902096E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84977375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34193668E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50965584E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16364891E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52903935E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.08416698E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.04097355E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22218895E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11633386E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65598548E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.47180486E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64595958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87729409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00594304E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52136661E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08857660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73431087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.60733626E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.23559956E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78559585E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41349213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.79755650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12990645E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37174441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.62470701E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04816964E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08692115E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.70925027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.58358121E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.59840923E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.86126124E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03372624E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08120567E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.62620014E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.78973557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26379058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.91405599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84086491E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.89610290E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.65976290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.80763241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.20686438E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.04856900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.40580214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.42152260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "74": { + "references": [ + "dyall2004a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41372745E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70676239E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84546864E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22740488E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.27359438E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07264037E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86767317E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.82681628E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28122025E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12317815E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07506464E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55006857E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92012927E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56557310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.54939856E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75289223E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68978522E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58942199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02971268E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22766505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49945109E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84325700E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73749870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03301075E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09437248E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55925540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99918320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13334515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32945379E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48000102E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87397350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.54574252E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84357289E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42804035E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.18240962E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.36094395E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48550092E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53588143E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50330664E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.31806678E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98791315E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80229694E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20804960E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38191825E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23715198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94450834E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44864168E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.39150629E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88724659E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09666977E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15188986E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.40547159E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63032231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08852715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19652423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.71375076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75569321E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04595084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10245970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.86443306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06579908E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44142573E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.95323016E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35333840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60492793E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13091686E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39800429E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30823775E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.39464363E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76270432E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.93400108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86547755E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98863476E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06528812E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84792814E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.27170244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83830156E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01996550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.57171057E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97842224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52348741E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.44648139E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48699293E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55118230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.43635589E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39656041E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17940585E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.01800933E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71509473E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.23259468E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19197084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21283215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18143991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.18853456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.10192825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43032657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.71994826E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17567918E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.27556430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.86903850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.12478072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.78962199E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.27680310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.49610921E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.86251730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "75": { + "references": [ + "dyall2004a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.36028633E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69211166E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79327757E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20737476E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.20435100E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05824118E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87351426E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93106918E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.37354538E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18809597E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11506835E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77793793E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04619328E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63713392E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98616139E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04532193E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91618915E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76953239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13500017E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36620560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53947054E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85766052E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75707275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05101493E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29680708E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72339577E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12304797E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22985635E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02834389E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95258204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17361976E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08733440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42192519E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67534923E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.85196948E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41608341E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51650488E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66703689E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55673075E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53393319E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07656365E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.17799481E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37127418E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45426248E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56633903E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09936984E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52415919E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77307182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.08612842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20290354E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21001493E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.72941507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81465845E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19739060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26146579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.08485729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.96333850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14367013E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15270703E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09972800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16651397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48380126E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10460759E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41791145E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63550016E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11059271E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.67987485E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37097742E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59177346E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83826808E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.26235074E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02044098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06608074E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10587964E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.06958938E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39771620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91156011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06284268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.82476449E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12815585E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60956285E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.95620267E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77174881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69925644E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.13823879E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.68774283E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26645950E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.30750569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83817495E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.82477403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.50048506E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38007411E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27521957E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.71793682E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.39925180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59124925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.51106107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50791806E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.65995110E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.07666900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.26591377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.37831711E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.51429430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.57890715E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.31298180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "76": { + "references": [ + "dyall2004a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.27221999E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66918880E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72028139E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18342021E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.12792117E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03641184E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87019000E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94551068E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38721066E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19182328E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11269124E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73701674E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01018953E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61221528E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84025233E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.97706971E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93011588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80415734E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15357738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.43265447E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81778922E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03255045E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86035003E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09877735E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56572971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89953178E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44984519E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30878036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.40867357E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17178130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15456465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08932993E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46445718E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70881936E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00172798E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47024335E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55228728E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82071374E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61938280E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78839793E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18115205E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.61533413E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55822037E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53629973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93716264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27286781E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60842588E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19755048E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30712374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32132520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27531059E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09979172E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02761184E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32410972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33734912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53268971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.24122122E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33040187E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26404455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.73081100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50163385E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62500690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.71098627E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65801683E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72360098E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23286662E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.10242833E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46926789E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.90513356E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95790443E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77879164E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.26431108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18872062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17055316E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.42192924E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59379388E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02250844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12610713E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.18544867E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.33714042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73046948E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.63411397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12974288E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87542667E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.92561923E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.98268477E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35104342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.58767055E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95701547E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.39517199E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.79708637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54080586E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36539352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.22901991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.68872492E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.74958291E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.29919873E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84174741E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10635820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.28520820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.40679822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.98556465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.76683870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.06674087E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.78043260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "77": { + "references": [ + "dyall2004a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26324567E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66683769E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70970969E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17734405E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09232390E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01717475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86246452E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94300936E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42430397E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24226154E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16155634E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13922679E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30775905E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81655419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01771939E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82774569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42589179E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08435403E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28971512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91277281E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61308928E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89620756E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84193836E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23195095E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26388789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25954637E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31315045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38631942E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.06184291E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66607005E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24109504E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16296220E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87342643E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90020584E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05432433E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60878134E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61538923E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06771092E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71643431E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.17777869E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34059553E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.28003447E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84183296E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66143717E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50847642E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54133412E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73826058E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.84520694E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64035134E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49746302E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37100676E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.63264364E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32857641E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50170900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44179023E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.12489271E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59044682E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53894005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38832173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43806471E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88242182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77307459E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31780465E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88964320E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80726598E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34745273E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46118937E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55205596E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.16732275E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05743489E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.20671223E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46581658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29002690E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22411109E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.71542035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75891436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11692410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18042585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.50058337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.52305319E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83944376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.24892165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45735151E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03904087E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.67050347E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25500004E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43371089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.86065441E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07263528E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.94967757E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.08543122E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.69732644E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45335419E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.72925038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.97383438E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90676971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.09003268E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.17906800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24925000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.49565040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.54836379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.61895199E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.03909580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.17632329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.26883150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "78": { + "references": [ + "dyall2004a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23780991E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66101170E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69657852E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17560236E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09700186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02379219E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86860485E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98367864E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44127471E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24417803E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15809653E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.10199490E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28110684E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79879434E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00553543E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73943870E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35558927E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03441597E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26916346E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.93599935E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78037111E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97800051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82718019E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12496267E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95014290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.29354941E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56031568E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50060613E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.52083862E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65934749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28350455E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14291920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73908361E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86374375E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05623320E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68475118E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65556990E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23595720E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78396405E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44821160E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45142111E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74756010E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04321956E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74914029E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89919404E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72285116E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82610784E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.28401321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86587287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61662685E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43583570E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99058471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.52340492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61019088E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50335031E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46913428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78451346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64002033E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43799995E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66201942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.97343035E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81310349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46979423E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95778151E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83812888E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.35824046E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.87829029E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64862299E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.47337733E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17369284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.70621535E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.70040554E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40735433E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28568499E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.05027244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94584677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22332444E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24157851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.85338484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.72968164E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95978613E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.91592559E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.80676651E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21093312E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.44133195E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.52500811E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51528666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.12934398E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18629243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04943932E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.36856800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.85118211E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53994937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.22346785E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.25721035E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.06404203E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.88825356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52154887E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39524670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.70940250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69216767E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.29269249E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.34007410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.28755725E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.78806100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "79": { + "references": [ + "dyall2004a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20910315E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65310196E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.66662267E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16256884E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04288317E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.00471076E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86130196E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94010272E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.41168672E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22578678E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14666921E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02327271E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22502302E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76235066E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86388945E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69800040E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47439123E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18594432E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37253267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48620636E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.20683077E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29620450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05642268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23541844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56412170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.57399250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73964897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54586970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59898841E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58261513E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43087444E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21525733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08933079E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01852957E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10237339E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75534848E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69124856E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37780684E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83968730E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.67012592E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54151575E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01221988E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20347350E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81966463E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.21744870E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.87039155E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89715089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.64237207E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.05420647E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71861289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49244771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31404628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71314825E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72291155E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56759018E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82986883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99104006E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75797960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50215220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.00999703E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16158973E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88571055E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.75551178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06338978E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87552747E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38912624E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.30851950E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74834650E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.79121925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29550786E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02343767E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.95064363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53367053E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35256912E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.41664376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15100111E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34029736E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30901241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.24363075E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95914719E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09371900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06558558E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.19289443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39938364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02711578E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80267124E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59845287E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.40236705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.30150329E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10448257E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.65359194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00551195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62652422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.71693770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.54074873E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.22208092E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.69655156E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.87002646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54458060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.92701880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.83876516E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.02107371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.68090110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.40044975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.34742620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "80": { + "references": [ + "dyall2004a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12672810E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63104578E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58888816E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13220619E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91576913E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94709159E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83403429E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.81695052E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36078259E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20557049E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13787944E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97929745E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20390326E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75583349E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.87771001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72914904E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45983627E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17661124E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38150167E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.60976047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17642828E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27058931E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05006734E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28231540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.94453938E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84298883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82567595E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64823182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.33379270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14392666E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72750013E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36139890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70072469E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25310648E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18804137E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.77648167E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71497444E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49387110E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89096220E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89054219E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63613074E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05322443E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38376896E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90028453E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.58546381E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04292940E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98058712E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00587099E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.26819007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83167411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55388868E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65092619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89106075E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81439876E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61219915E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07431384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.14216020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85426268E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55398566E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26791395E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27275305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93685375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95217230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14865006E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91251986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.47569618E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.70427008E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83952175E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.07648139E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40175788E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06821536E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.15735362E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63556530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40542860E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.70184897E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31006183E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43066231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36062067E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.54288783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.13594247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19819426E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12352900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.49787443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55187128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09750380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06326747E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78411369E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.01177648E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.56022619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22881251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.31199508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37344738E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84824523E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01483684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.53250722E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38191958E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05183783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.22555170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.69753240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.15045690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.99056248E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.83253203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.08197090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.51566351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.96388350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "81": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08317392E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61959166E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55037393E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11756903E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85467326E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92058604E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82305138E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.77620999E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.34785315E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20245614E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13803407E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98934423E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21408009E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76558875E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00041468E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92250228E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75625842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38838929E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50798681E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.39234664E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64493482E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53503788E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17395792E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34404778E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30103217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08713322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95482347E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70648845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.63840443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41182154E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99435729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57107513E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.93730699E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80210667E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14776491E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15248188E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44027116E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63861053E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23254424E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26461019E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.14050137E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16087264E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.37180882E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19075911E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93342449E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.21124918E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53235797E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30024376E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20160416E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44177221E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.53191800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97402907E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11586230E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33259168E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66558425E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11668615E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20234311E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.85494228E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86846732E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13766076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14047523E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85342232E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66929975E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19941873E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30750579E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32345763E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.86406729E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33382249E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14858642E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02145799E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.96204457E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73370770E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.27334951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20225805E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23348598E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22883081E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.91065721E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95818357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27419197E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29102701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.29900666E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.08902776E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23435634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18977792E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.38315155E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67838812E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97031244E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46000123E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19190456E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.35358702E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.86621332E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.34716156E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60491225E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.29421286E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.46324615E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47514941E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38528611E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.73143104E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.26020945E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26950764E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12754633E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.34585170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84851434E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.80387560E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.71719257E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.55971963E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "82": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03920992E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60745089E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50560701E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09916723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.77129438E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87785537E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79897043E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.64376436E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28277909E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17378222E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12556188E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93460787E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19483673E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76553704E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00944437E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02343126E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77158135E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39375377E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50914233E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.33306502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51284790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44322020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13338228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33520758E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.66289355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38222437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99415411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87779630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14812985E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05688205E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82986806E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02009700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00757759E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76195404E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73209666E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.36179420E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57385946E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27215669E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51651434E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38991546E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69167353E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40582831E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04783130E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69525107E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16748139E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03300162E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.08426049E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.58100535E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34861189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22977303E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.96091080E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21115343E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24885742E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09098696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10045433E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37014093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35190917E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72037399E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38640900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43723532E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30981319E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.79468534E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16722126E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47172940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66059717E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94523129E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99471210E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47942422E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48210727E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12655416E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.36032112E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90442930E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.06947114E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59753456E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43838189E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33891512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.51614919E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.29820864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46927739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40562657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96399991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47266844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45146086E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29817645E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.64854429E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02082119E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14895975E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.54398069E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46831414E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09185623E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.01386845E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98309666E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43055149E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.36521457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.94695785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17364859E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20272063E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.62387444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.57433130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83923557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.42424682E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.12384386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51904517E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.39821276E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.72401449E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.54183025E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "83": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03279728E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60594003E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50023107E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09659438E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76143654E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87757098E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80294416E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.68441494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30762118E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18429093E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12934090E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95072040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20148524E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76415906E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00160154E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95642414E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96720913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58455735E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60682868E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.84446368E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01460101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79343442E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39126451E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52760043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.20872979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55740309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20235441E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91807846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17319772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.44630190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71155204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39027432E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18864596E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60259186E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10259751E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.25482293E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51279614E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99433630E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39784722E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34061524E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48671180E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31656758E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00691425E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.50505364E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07848216E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.90002640E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86642104E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46558862E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28558344E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87901309E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76206018E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09508372E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17949694E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66892149E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84609275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21095148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24827310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10832128E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00037196E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22846634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21256201E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.43653019E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14886756E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51587169E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16078605E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29139770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27388147E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64639539E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86670798E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24589026E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79811197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08586225E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.89743601E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00615172E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65206540E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45619569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.18294249E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.68616244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.70061415E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54602704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.80349429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.98217352E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76443173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49348569E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.02887499E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47148940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46379012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00171907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.36615293E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.59714224E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.64921518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67445405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76033232E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.09822722E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.89976220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72075403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52620972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.54854988E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.73159461E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53363981E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26389863E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.47623445E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75081190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.90011346E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.80941530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.71433389E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "84": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04328296E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60878604E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51104078E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10210157E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80329257E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91215357E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83148210E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90430630E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47126112E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30328519E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21383059E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52683277E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57601432E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99746223E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14186935E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69879961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98537556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43269855E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52179619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70210495E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28565464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91406006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39584593E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44913673E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99319907E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61426467E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49544470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17739099E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39471720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63080241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94222392E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61057660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32024835E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.27723529E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28226501E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23716897E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49958826E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.91977297E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35950468E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32435645E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43008453E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29715439E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.98523381E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46402852E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05702902E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78360770E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81001475E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44518465E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28266698E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.91437607E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81515268E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14893627E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22679379E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.05253391E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12721577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40705992E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37916628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.97328043E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56696330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55222864E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39354574E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40356778E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65339944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75549207E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28366001E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82593378E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59381310E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80336900E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22511021E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35633203E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.20206304E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25293395E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06543755E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37408365E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84078958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55763068E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.74759532E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00671952E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88587114E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65398832E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.42388617E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.34235897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97421678E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61452746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77324890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.06980661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90486308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19140848E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.50365332E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.77665712E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.22560061E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.91651729E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.87520688E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.69525563E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.22731107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.90760873E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63559770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.19392819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.11237947E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.75460404E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38654510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.93276104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98196926E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.97799805E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.04617644E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.97230784E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "85": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03754266E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60756732E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50756454E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10041425E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79170008E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90456184E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82735521E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.88381781E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46161058E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29792522E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20951378E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49079727E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55248237E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98455894E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13237310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60172665E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93925893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40215313E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49006518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.40009193E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96998212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76960781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33865293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52849989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.40280959E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92922327E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87060095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21779535E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34057291E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43093309E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65310412E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93184753E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48233685E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05065044E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74708822E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22514073E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49328542E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89373757E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34540998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31404445E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.36081323E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26034744E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.82867088E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40526138E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03556174E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.70312327E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77583752E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42669003E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27105258E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.84079236E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76931664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11949012E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20757492E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93043835E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05244136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35983675E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34978352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80762081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46674348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52117161E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39932798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.59663105E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90177578E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93158649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.32294020E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34091545E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84207966E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90349494E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45722599E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42827574E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46622390E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36209248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11502975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.61830047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96828161E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62690283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.13512832E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.22990118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.01862670E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73527665E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.92561226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.65332164E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16600816E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73092873E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.51050663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71596180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37613991E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38924678E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.35477916E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98321112E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88346447E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19004513E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00480093E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03658327E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.59179133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.11278761E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75423084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88637366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.51843951E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.99043819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51897674E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.47768462E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.31051189E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31429922E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.39718732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.29660659E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "86": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84934165E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55727982E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33333278E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03305171E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50878878E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78018860E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77104887E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62907577E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35084604E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25359087E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19399016E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44611091E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54405149E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98693863E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13855932E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67235242E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98905662E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42176482E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48676183E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29569389E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01235807E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99157956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59355031E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61594539E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02237996E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.34497875E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83634273E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36047288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51919804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.79563636E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55280780E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02733349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56487403E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.54954093E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30658082E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09240457E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46936254E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.86720524E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35477829E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32396748E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42092331E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29295561E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99199500E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48036474E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06909770E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.85614099E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84751958E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46120100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28839840E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93309266E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82182386E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15113062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22774645E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.07023034E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.15260238E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43122062E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39823737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.14689657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69761160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66798036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49531338E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19507828E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27930628E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14215694E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04280197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87911534E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12901843E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01991605E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.72386419E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51266655E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.78445447E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49739625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17779568E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.92974342E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13099639E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71566635E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.63621636E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.51936974E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18980829E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83803620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05361722E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01789626E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38275010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85761810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02859548E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46214376E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.89531825E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60155240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.17310007E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.19499697E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05625936E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.47320067E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13869326E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10574209E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.96871492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.32577946E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.87797546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06118338E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.94541468E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23924781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65912723E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.05049919E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.71497957E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54437445E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.80566833E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.50995210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "87": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84371051E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55579549E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32804397E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03091859E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50374715E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78346398E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77878242E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71715150E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43144338E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31937946E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24426665E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80445190E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78334722E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14099476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24157665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48288736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74581374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01821968E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88385030E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16651426E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.27817685E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59110080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86915853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78061408E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06375341E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41350169E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81882595E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20757227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27918777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10988809E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81255367E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99335420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36807871E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64346524E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93503774E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80372852E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03189773E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16755975E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22147330E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55079174E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.26438440E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.53690582E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40633248E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.79331856E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46076546E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07624065E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84746946E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24894912E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07494095E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29710662E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69154441E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40902363E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.58236274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18117168E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35483755E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34426216E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.73036219E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53285594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65146153E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53257454E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96446508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.20832153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96110393E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66122030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10335099E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81569142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50864374E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32930773E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.27408686E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62763803E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94357307E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06374849E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.84105995E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77706328E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79786056E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.54421545E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08970031E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.91486282E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38806410E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58918637E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.98166481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21572630E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31522688E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30987202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56950813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45716053E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63739717E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54682097E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.10892022E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.32796809E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06217039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72483547E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.44442640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.10584553E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17398439E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.21833016E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59769998E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.63258645E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.34078214E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10226551E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.66855413E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23464869E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15729150E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.26185896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.49925762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98336061E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12580788E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.34305699E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.48321822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.80666069E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.89910254E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.22402675E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.43923356E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.02175930E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.57575128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.51580070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "88": { + "references": [ + "dyallXXXXa", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80637454E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54565391E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29025534E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01398728E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41000586E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72227002E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73398013E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.38432731E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18930089E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15030901E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13167503E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.10126100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38022357E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93752549E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16223063E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.40413801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89271964E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09255096E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90334119E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16206957E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95240013E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40167821E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78644802E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78880794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12166955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.92917128E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12676255E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41587287E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41536909E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45176626E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75433310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68840517E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44084048E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84189642E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48703242E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42385115E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29575073E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91156101E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31827787E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60897690E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.52973280E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66006441E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46357061E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.06134752E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59031281E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13994974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15889275E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40030618E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14898220E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66416364E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87641684E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50369857E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07490645E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44133487E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49507777E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42139656E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16491585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78111968E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78911707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59908919E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27672688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.34249846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04270430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71987994E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.54053376E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06049878E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67964283E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42812749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.24735719E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70583929E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91076485E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.85825613E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48807969E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63637719E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.44716749E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67602081E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00843141E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28453851E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98976819E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.89671892E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18688564E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.83004111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59408391E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.16976006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.36923361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.15999778E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84906374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08273662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.32060758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64577233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05532075E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13212790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.08442864E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64445375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.84867005E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.23362843E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24392868E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67450726E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20816203E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.10267058E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.43590380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25894179E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.80369927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.79815519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15428241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22496912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.92413494E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.82010169E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.99469002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.76106847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.71576329E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03726185E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.25674441E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.34349907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.08871430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.21315834E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.09036549E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "104": { + "references": [ + "dyall2011a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.45971372E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45277067E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95589869E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87427357E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77491260E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41875952E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58684788E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.67072072E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85745371E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01242429E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09863494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49369432E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32805196E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75165842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62432299E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.48726043E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60818993E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35050623E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00685958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19873509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36322132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47397460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66290353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71368848E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09968864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.62332857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25434932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71896249E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76787141E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91893278E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.62245397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12840627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68104897E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86618595E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66944138E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40726651E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11539275E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.97543058E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15716432E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24972927E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.12608799E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16582238E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.39527408E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.17296069E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89445241E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.77988939E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.15290693E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00545299E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89963280E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00515616E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59610000E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38149056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53126752E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19843225E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38043987E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36827280E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.02165558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71161106E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75774609E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64586005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.76452114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69866732E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28431927E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86420837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05649370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00091584E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39968855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90788120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01487179E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27128262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69365094E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34013783E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39316151E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.12287133E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85103885E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.73082876E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09975896E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.66024218E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.91198361E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89727383E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.72037069E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.19357011E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87049422E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62482500E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.37938274E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46442030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18523754E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86743573E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09370867E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.30908807E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54225099E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91968284E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.86797233E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.68566135E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11061498E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.05738045E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66948535E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.65825577E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.39768115E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11525306E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.67292481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.22162592E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13265535E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.04466398E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.29801869E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.82037167E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00408899E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.43369996E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84740674E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42594119E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.67971938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.80557568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19865127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.10687970E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.28230330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.05819880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.71757250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.88483390E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.31336740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.13524270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "105": { + "references": [ + "dyall2011a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.48201058E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45839431E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.97243937E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87884252E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.78509755E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41895007E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58547563E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66246697E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85504750E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01182174E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09683385E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40495028E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.19081632E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72840331E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64620158E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.72211688E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73797828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42450512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07295190E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27154060E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99891549E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95398844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96575131E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91313087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21884005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64699481E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73539475E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88065731E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71030365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.93333671E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77147473E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34296094E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04639062E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05326780E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37466641E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70246458E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22351839E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28348255E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37798186E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36856093E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72736429E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46452015E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08680929E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89639200E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25034203E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05398251E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02954172E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44617978E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21385683E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.15501878E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19379644E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69676784E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.21860425E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11425253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88640686E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65171375E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.60373313E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63349012E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29934342E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96079604E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17347050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93283396E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01901444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28835539E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26200195E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92360331E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74914496E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98794418E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05333582E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54235488E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86377054E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42362834E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81075959E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.20758469E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88349036E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.83357432E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13485612E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78335066E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95467280E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91326925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.79197118E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.23238802E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89447010E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64046400E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.48251960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52785055E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22131382E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89060790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10794937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.39081471E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59301360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95231451E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00583669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91349583E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28672321E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01344722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22744429E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39860602E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89340694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27213020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.32062111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.52682219E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29072634E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.90467043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.79000301E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.10534277E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17354346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.45216777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.42980502E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73912411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.18764702E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.39295395E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39909052E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.67950310E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.41803270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.53173600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.17967740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.29031240E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.07989640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.36459280E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "106": { + "references": [ + "dyall2011a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44306651E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44803255E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93619198E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86438395E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.72137771E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38851120E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56979902E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.57570965E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80158923E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97348014E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06418075E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07535116E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91461294E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61932832E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59370347E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41298089E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59711467E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36983861E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05545789E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27666466E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.06114934E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01770714E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01567875E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94431003E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24540150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.21107798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15215962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17914727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88993439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11859288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.43641290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51855356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97685459E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03733543E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44054872E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79881230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28607752E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27620868E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39028684E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37968488E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.79810798E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50290999E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10574052E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98641575E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29282247E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07366868E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11871372E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48664798E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23283977E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24699591E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23910466E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71936945E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.33405454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17547124E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.91971029E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67176178E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.77614838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78615135E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43081630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06268084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24946157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.47321769E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39744629E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55098345E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44302711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08080291E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45635704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38722015E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21119972E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07334156E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03611956E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48540597E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65920123E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.15409231E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87038318E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.79029974E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11888521E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.72153402E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92829105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90053277E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.72572898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.19884897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87877740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63400192E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.46375914E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52504149E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22194042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89594380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11328146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.43180389E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63022484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98436482E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02875500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12331357E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43748428E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10514040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.71169071E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69399665E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.28955831E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39563165E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.82563777E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.76305845E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41262994E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.56651346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.16850124E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.32514262E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30454962E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.23776632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.88214729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98934605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.47786994E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.98435704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62225990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.26543170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.55396640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.76948440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.61174920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.47705550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.87616010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.58267420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "107": { + "references": [ + "dyall2011a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38087103E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43139197E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87782538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84111335E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61848488E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33990973E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54553752E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.44845948E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73128282E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93232282E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03689590E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83424485E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66344976E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51394996E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55986729E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26949080E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60157935E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43095111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10472302E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27587615E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.00911078E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99699561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11152246E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04652189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34468406E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86593700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56826804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41276143E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96206854E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16914142E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77732332E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87008918E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12977038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13874394E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98853433E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06599422E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40911682E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.41601473E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48617304E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42984620E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04319189E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62300194E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16607723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29355507E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44932956E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15345912E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52616083E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69469722E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33900382E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.79148775E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52197827E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86895872E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01400605E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61833948E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16923472E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81504336E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05968761E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27000998E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71348935E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22332955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34606879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.03222188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70235819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70870426E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51413153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37775950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53127761E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37188036E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20757112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09607425E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06835377E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50505939E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50826379E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25732048E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89078310E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84946964E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14028198E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.80448289E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.96415629E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91822076E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.82038620E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.25146118E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90835205E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65091372E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.56504142E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.58649512E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25906629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92134884E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13006066E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.53680661E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.70242904E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03655314E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06490529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37740289E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59755195E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19616704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.17587366E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94149668E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.62593619E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50308567E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.27380568E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.97454580E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52170465E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.15651511E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.50388945E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.51911949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41969507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.92526591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.28057634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21417901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06796329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.56898773E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.85350008E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.79137450E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69096900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.88770160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.03980800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.49806610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.68596620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.77661490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "108": { + "references": [ + "dyall2011a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33269623E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41851417E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83268372E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82318050E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.54099166E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30477679E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52929369E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37356296E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69817603E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91879784E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03264584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85198023E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74773856E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54405948E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55186768E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16054784E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51401938E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37400874E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08750776E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31115890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35357781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26866244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26325371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16866319E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41004686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72303455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51599702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37675879E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08066643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22202827E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34117242E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35468451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30901222E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23322316E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.50849182E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34128974E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51496815E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.32558353E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43810001E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40848826E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.95180081E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.58243045E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14620015E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18659046E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39042751E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12203808E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.36441752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61240540E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29692845E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57387226E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40746952E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80729469E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.80046315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42782244E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05982411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75229867E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02348390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.03259619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55051710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12253603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27547462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.56428591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42520750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55567610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44020629E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99628812E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32397680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23440848E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13579586E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75133443E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93160698E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46599600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28418812E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.61082747E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97163167E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.09272802E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22551945E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.14110391E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10984399E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98633142E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01599233E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42985895E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00646273E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70686814E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.89340908E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.78325035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37883655E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99543036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17621890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82594027E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.88239844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14868597E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13375706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77919293E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81695359E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30867606E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.70614201E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18371696E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.95845653E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60576278E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.68803827E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.16708418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62087843E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.69589193E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.81243689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.69894774E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52675721E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.56323870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.65189758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.42630398E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18377640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.15030549E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09013101E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.46382300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.82962850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.94657160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.47700620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.07527960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.49687490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.00918740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "109": { + "references": [ + "dyall2011a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35477948E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42425298E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85073488E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82894279E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56031660E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31088246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53074373E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37080431E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69206830E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91663745E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03935295E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04140768E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94101657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56370723E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55195065E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24359501E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55475860E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38025689E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09895711E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36255520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.78863358E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52626730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36054257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17140783E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39704603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.33929881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82691970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61827476E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15134839E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30739224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75243499E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51275426E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63479795E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41920868E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36041219E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68802643E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61967065E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.48006000E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55092594E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47009910E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26593635E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73989099E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22529921E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58650128E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59170756E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22190178E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85526992E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85505383E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41889116E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19798356E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73211614E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97914836E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07276890E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.93870073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34869396E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91668183E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11578146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56743955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85973189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29621374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37655785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13789707E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73541932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72428035E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53188993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46635783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53510826E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30091525E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14076172E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76111994E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98548630E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51012149E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38107414E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.17486083E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09710625E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.47059397E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.35989800E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.67555707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33862604E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08962654E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06540434E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.68010879E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13953401E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78012166E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03061016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.02053597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.51826932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07844566E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22627777E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12884239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06691699E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26246422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20283487E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.17418477E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02984495E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41764949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22202021E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47485926E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.27363523E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70381075E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.08724823E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.35300194E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71614036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.21050686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.10431960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.86790524E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62678574E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.15807475E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.00018295E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.62803706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29622784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.73130264E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33139137E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.10230640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.97037890E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.09769260E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.93365800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.19834210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.30619010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.22574390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "110": { + "references": [ + "dyall2011a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30790073E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41178380E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80722313E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81152422E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48200978E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27280674E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51137241E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26958422E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63682414E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88318618E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01460230E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82599136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85010707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55613261E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53518952E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.06034996E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52389804E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48598262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26273664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48192341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49218137E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89522756E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52081241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27519042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47398207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01212820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.34978384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98570897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36186210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44065118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58616473E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07113026E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76601076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47284221E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.67102624E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87202974E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76788003E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.56767129E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59815913E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49176224E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.36225556E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78361874E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24556053E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68302495E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64005873E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24729792E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99060779E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92620332E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45577396E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.39082729E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83491978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03450316E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10273535E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10298882E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44044885E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97084568E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15095596E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81030138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03337528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41832707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46536534E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.76333242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.16559936E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01656733E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72178445E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.66664388E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29997901E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81569298E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41687474E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96883625E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40532021E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62899706E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.46060038E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00490181E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29741144E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.08289133E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57989810E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05606975E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.72776544E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27361906E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15753844E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.16182727E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.40062481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92576284E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11340668E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.50429554E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80839128E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24864464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32800129E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.74500760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.42566686E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46982695E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32177162E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82085010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35843742E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57250538E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88647200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.68271890E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.57413318E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.79726212E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.46792982E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.53064345E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.80729002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.70399757E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.38453473E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.03046042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.72315472E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.73205155E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.33804247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.82549268E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40760720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.31551503E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.57727957E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.76354280E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.11355660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.19949710E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.42041280E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.33156160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.10962200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.44286260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "111": { + "references": [ + "dyall2011a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32963330E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41739348E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82465082E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81688027E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49750743E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27556012E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51045074E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.25492477E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62692302E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87921293E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01528250E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85639221E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85602993E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55479559E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54208281E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09178461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49695883E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44862684E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23941946E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45327487E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.42652522E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89988043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50545010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27639863E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46622500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01751391E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.33666160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96490590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32459114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44148354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62084423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02501108E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02173530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61951163E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30567041E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12630953E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87841022E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.64035460E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67539711E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54120168E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.63766306E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92907417E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32079851E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.06807205E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83563724E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34659656E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.49771151E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18656967E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58946423E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07478064E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18504607E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21582578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19855066E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.62105175E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72828313E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13589614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24987371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45146995E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45918639E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69200228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64981508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96198520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.91865076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48501236E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00814313E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13398132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23044305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30056071E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60850559E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.64977666E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62158027E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69239534E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54199716E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01102172E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31959730E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.16361322E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60722075E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06490935E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.75930237E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28674177E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16330175E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.18666491E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41119063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93047679E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11605941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.51860397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81480198E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25634226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33428798E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.78775550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46649120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50660604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35129111E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.02220029E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48570918E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64791602E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.28891144E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90205073E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.87763137E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89116232E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.84779561E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.70663049E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89694015E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01865253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.65687769E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.18775230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81605888E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02845292E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.66432202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.01796245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51771310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.90404148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.82760263E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.54675050E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.25944750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.30142680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.95469020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.49761150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.91003120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.69315830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "112": { + "references": [ + "dyall2011a", + "dyall2023a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28348976E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40500323E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78082602E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79919419E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41844044E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23756166E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49085023E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.14545754E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55935593E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83304454E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.79256875E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50286995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48192450E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38338824E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47319109E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.77046508E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35314782E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39833265E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22760060E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44415827E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36454097E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93554622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59885499E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36308348E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53009368E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05739052E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99755409E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45664074E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59941275E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59387103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24871674E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.20059377E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13181760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70060631E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79908964E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38774122E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99585090E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62254239E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67351088E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54267713E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64652737E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93278966E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32192978E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.06838514E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83439975E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34635907E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50176263E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19117104E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59227363E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08826107E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19212664E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22045165E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20180315E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64417067E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74449587E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14489856E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25084340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.39299969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.37063871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61453565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58221789E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.43617305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54424193E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22859365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83196222E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01548816E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.45665731E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80743078E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40453853E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94444049E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42238079E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64434980E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62530847E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12641028E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57143981E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.90755626E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86941813E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16948288E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.21329700E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49726094E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26680872E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.72058114E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69747256E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08869290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20507178E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.03358308E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12054118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43347384E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43941821E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.42314879E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.83670490E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72158764E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47396736E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68168559E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81692311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80289488E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.95273237E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13931454E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.17203182E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98173822E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.21312396E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.87588980E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98319291E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06514404E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.91938275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.33941180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90557653E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08169625E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.98022315E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.20617398E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62686943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.49799127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.08241165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.35545550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.40830290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.40619090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.57011180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69058970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.71092530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.94737170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "113": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27196403E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40181172E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76915925E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79430975E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39815540E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22955007E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48813092E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13670521E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55206807E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82164857E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.62298159E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22953390E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92147343E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67361987E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88208746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93567253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61256521E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22237016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39805397E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85855904E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61491969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55467881E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43180164E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64040194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12017162E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24649384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60033228E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59484257E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71841941E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08733039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36593759E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71258074E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29886893E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11526856E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01964399E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02242410E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78822227E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79251465E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60979217E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.00506570E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11991699E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41855244E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56646361E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09019500E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47681051E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16130990E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52296712E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76040809E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95561770E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64866537E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46519716E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33528492E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38531948E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16586933E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38862032E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39245047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.25374353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89609360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92614557E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77868026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06613145E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.28508530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68624509E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12194485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19933177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61340776E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51823441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72049802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13589190E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81167733E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75663167E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59436390E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16714124E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.66916817E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21164227E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97833395E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21242639E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39607613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58130105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30861623E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.94343971E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.82295013E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16242539E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24984606E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.31451415E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30119781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54951252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51544014E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.92648999E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.16215777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93198011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61038598E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.53123860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33182672E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09880286E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34384342E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75109060E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.66784641E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13455133E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.83105889E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.16214588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12935368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14399278E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.36596446E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.59859044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.05940889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17436154E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.54501004E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.55573168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84637679E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.87587823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.73547013E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16249082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.70279140E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.40439630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.05572810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "114": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26033797E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39861654E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75619038E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78781943E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36271088E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20940507E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47660635E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.07431758E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52631940E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81906673E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.73215188E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42119864E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18800440E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01508625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36424516E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85520434E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72596203E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62189952E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24697245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32834569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20140838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08075010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31631115E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26480640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49018114E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.32444366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63329153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.14759330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19116357E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36044159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45721060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24430169E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56942043E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25619421E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55232207E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42215460E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.71686810E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74532433E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58527086E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88873651E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06645977E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39360764E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44592635E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03101177E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44838769E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.03168972E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.46705483E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73705835E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85790925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60557843E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44367888E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32305040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31531519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12995646E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37364697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38977369E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.25862051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90657956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93087963E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77481973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05691523E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.21876676E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65091628E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12745834E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23561840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15215577E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03290889E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07920174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01708236E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82197574E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22215679E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.54995000E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24588240E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84906635E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78025433E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18705384E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29691001E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.76369597E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75087939E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39062891E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.35540610E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03779425E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27934635E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31616835E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.71117594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54825517E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.70176626E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61169459E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.53741366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.53846630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16557103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75695437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.42412193E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.86065188E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39010364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06334671E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04850930E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.97374160E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.22900735E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.21249703E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.33899326E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21940907E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19257744E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.64054411E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.75809214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15442287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.23219110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.90479978E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.78889544E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00313700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.92431016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.28863198E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64962588E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.21930980E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.41562200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.84745690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "115": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24911974E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39553632E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74440734E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78234057E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33412453E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19286823E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46626125E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.00439183E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47609955E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78335897E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49346305E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27963478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16130723E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08713492E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36289221E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50071675E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49964280E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60178408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27387670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34457367E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.23908379E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05250060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30429246E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21291361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44784260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.35071470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68943819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26438607E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08357640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25477219E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.81432891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54863722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64221974E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37176563E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.14006031E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81644620E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85958919E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85210836E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64516561E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19261901E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21611493E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46698725E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.80711749E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20962760E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53668391E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.46558964E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67953739E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84065184E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.35772192E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84695318E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56403755E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38684653E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.67743193E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34883152E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51336173E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48260944E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89476072E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32898726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19974406E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94895519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16746630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88254306E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03845438E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33493378E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33543728E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.60463468E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30204003E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29863045E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16588245E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66269622E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63584306E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.14115010E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26167483E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86623031E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78557699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17917223E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29058532E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72578478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73182164E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38169477E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.31698941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02355784E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27480958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31508533E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.70380044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.53880226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.69940113E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61142365E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.54570638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.57377187E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.21004120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79994676E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.77276302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.11396721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54685635E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13037590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45034450E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.29160971E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.32630148E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.60235385E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.51835799E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.30999477E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24103456E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.91175637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.91402590E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.24626977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28744995E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.24474052E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00883114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15336038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09445192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.82415648E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.72630012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.85399940E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.35089970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.93020500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "116": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23799264E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39243286E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73221874E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77654820E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30361696E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17550479E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45627386E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95052171E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45135157E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77399324E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45016585E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22044631E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01773055E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84961315E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24104198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59874466E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75488016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70799507E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34424619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46206219E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.44923485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23597524E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06634763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90453402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91962782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21287140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.55527084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76212099E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08903042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86070937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07350022E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63436145E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99741663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49319761E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53593169E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98564610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95283268E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92544355E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68890395E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43198007E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34302600E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53313566E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.14818682E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38429639E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62592154E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.92426176E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91704662E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96476567E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00207773E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21092833E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76757524E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50146919E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31966562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70443277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70741286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58723125E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.48902770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68018302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40914977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08355329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25576715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.47618060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46042724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64115336E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55375259E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02077303E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07917555E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66032301E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33259718E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.45491010E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01679730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14742890E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39359689E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17890374E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.72932834E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.51219359E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42255879E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.29399898E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99220276E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50820677E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96269237E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.36646597E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46374386E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42203929E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.33368684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91983532E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92291987E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74763209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03943489E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.07649384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.50858263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97696303E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08142891E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71221099E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86471548E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26597270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86171370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.56966134E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.41096043E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.93912208E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.67277691E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38790675E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28287391E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.14744191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.05083219E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.32785505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33730647E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.55766996E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.21695517E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29985956E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19523675E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.35074608E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03550735E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.03000710E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.49813260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.05355740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "117": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25924042E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39786639E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74856617E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78116779E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31532502E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17731863E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45570946E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.93830899E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43691468E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75966225E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.32921669E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12878219E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98100204E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00438650E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43170464E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84763220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46049200E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46987096E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26498640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44727104E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.57744976E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.42001428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33513402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84369578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85078189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21733914E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59651688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78373460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92185735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82054393E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11983838E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.87400090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51783240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73895855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53124545E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31584560E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.93246819E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89712442E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66943502E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31554976E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27713614E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49736978E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96070208E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28752702E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57544646E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65176570E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76554718E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88023194E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.54900475E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94360639E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61315371E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41145997E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79694086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40153287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53306745E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48995465E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95792122E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43943689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37144210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13163157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32966028E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13703554E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94917227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95267920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74192612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00892452E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69421784E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01956499E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52524012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38304128E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43311967E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39600170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32297364E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.01410573E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.23876746E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.33631141E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35134132E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.98288898E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84773093E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43697264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.59249954E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.16481893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34908042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35585871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.93428876E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67303882E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78548689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66653603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.90368697E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.82324837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38748080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93312913E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06912481E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.69840840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87485417E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26036933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.86512290E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.87052991E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50204991E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02993794E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.83696914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.46996228E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32635146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.38892678E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.18942948E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40986042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38706840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.86604040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.41990975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.44385042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29548185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.87285453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27770312E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05298970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.54121580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.21283130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "118": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24854746E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39495779E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73765924E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77625390E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.29100862E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16380784E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44752897E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88591249E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40160683E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73417123E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.12592703E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95335065E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80074865E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70828513E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21733487E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62943305E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64966578E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58140072E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25880184E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47289887E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.82329929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44618236E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10574543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72635178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81140109E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21460422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.45100752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49058231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95347603E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83892540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16166488E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.75425819E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66995155E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85479420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13633895E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70095500E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95852932E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92231113E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68599722E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40624713E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32279378E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51963552E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.06722550E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33736752E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59921303E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77594264E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83692071E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92222193E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.79057721E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.08057925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69240533E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46023844E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.11773863E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.62080977E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68465450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59444659E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.67099966E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.90306127E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65442581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30463929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43239383E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.73188672E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30197846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16777708E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85750803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06303456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.89913886E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13360961E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60458662E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93676508E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75337574E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69842390E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71465154E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90028353E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19206574E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28988008E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73011158E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.62404365E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.61015158E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81113222E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.51191306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.19089158E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92040197E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68117510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.85063897E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.81536027E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43464918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05160436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22036083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.10581277E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09943134E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31660744E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27389211E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.77011148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.40324762E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48286099E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72395790E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.10550500E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.57520427E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05972300E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.97735881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54313815E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36712631E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.62608209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.32982910E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49364857E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43733765E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.17195337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.61890960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58634757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39572680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.39327270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.63147721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21654060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.58516460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.23424650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-cv2z.1.element.json b/basis_set_exchange/data/dyall/dyall-cv2z.1.element.json new file mode 100644 index 00000000..96162480 --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-cv2z.1.element.json @@ -0,0 +1,600 @@ +{ + "molssi_bse_schema": { + "schema_type": "element", + "schema_version": "0.1" + }, + "name": "dyall-cv2z", + "description": "Dyall's core-valence 2-zeta primitive basis set", + "elements": { + "1": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "2": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "3": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "4": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "5": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "6": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "7": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "8": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "9": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "10": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "11": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "12": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "13": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "14": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "15": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "16": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "17": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "18": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "19": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "20": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "21": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "22": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "23": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "24": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "25": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "26": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "27": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "28": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "29": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "30": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "31": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "32": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "33": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "34": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "35": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "36": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "37": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "38": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "39": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "40": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "41": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "42": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "43": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "44": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "45": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "46": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "47": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "48": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "49": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "50": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "51": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "52": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "53": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "54": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "55": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "56": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "57": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "58": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "59": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "60": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "61": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "62": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "63": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "64": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "65": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "66": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "67": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "68": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "69": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "70": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "71": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "72": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "73": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "74": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "75": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "76": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "77": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "78": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "79": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "80": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "81": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "82": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "83": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "84": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "85": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "86": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "87": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "88": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "89": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "90": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "91": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "92": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "93": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "94": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "95": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "96": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "97": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "98": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "99": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "100": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "101": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "102": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "103": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "104": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "105": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "106": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "107": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "108": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "109": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "110": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "111": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "112": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "113": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "114": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "115": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "116": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "117": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + }, + "118": { + "components": [ + "dyall/dyall-cv2z.1.json" + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-cv2z.1.json b/basis_set_exchange/data/dyall/dyall-cv2z.1.json new file mode 100644 index 00000000..96726dbd --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-cv2z.1.json @@ -0,0 +1,97175 @@ +{ + "molssi_bse_schema": { + "schema_type": "component", + "schema_version": "0.1" + }, + "description": "Dyall's core-valence 2-zeta primitive basis set", + "data_source": "Data from https://zenodo.org/records/7574629", + "elements": { + "1": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29687389E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24571508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83382422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.00164139E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58629441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99766770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02448897E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "2": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34522333E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52200252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99840299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21385929E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67371603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09005872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27228449E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "3": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35511989E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01233011E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13838273E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21730657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04340051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68402247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36667189E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17762820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.44368272E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82023810E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25548696E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37071123E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67290922E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19202868E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.47386748E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79497017E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "4": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40943779E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.54789411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16522522E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11703084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98836699E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08885657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68769158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04861275E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80904262E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86686838E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31800101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96193922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.48448593E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84445860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02251455E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74948730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71217265E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "5": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31890933E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38381575E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13231718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83973383E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87378723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02925898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97389889E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61011130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27059892E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02704305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25301829E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11445067E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50095842E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09574383E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81570551E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48912221E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.46511210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "6": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.42995851E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25053402E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82743110E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96080882E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56825450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02650296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32774491E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.06582082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.65254808E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28879080E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40303695E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77836858E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32153370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93710219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79198301E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.60203767E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52361971E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "7": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18811750E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75538845E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95938764E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11307086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58959691E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26367612E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66951503E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29793688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15279750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79915698E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76179541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09319427E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29673806E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12932532E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93173563E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31750516E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.26922465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "8": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59925081E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35199842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29060079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48462548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78417313E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68559662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23711537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75808802E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90688830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39078229E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33409745E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45830479E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42797374E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51782600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24175730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72133105E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17766132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "9": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08122193E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04524252E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82912687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91245323E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15619638E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16954416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03372746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28806696E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91891561E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06490573E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.12382078E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87382214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71665823E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95959041E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.72331544E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17227007E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61811961E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "10": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63937466E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84039579E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58347380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39831047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70985719E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71659873E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00621973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88859221E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11904975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82176942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01356529E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34055004E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16482787E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45525847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37825292E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67057270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16640868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "11": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67792806E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30926008E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18110639E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29023939E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05644880E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72817927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39450756E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79319847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75439259E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05162152E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36878648E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63828723E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32237456E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51036063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50295268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08283663E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79319715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35313127E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65632696E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82262627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.51878594E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05385167E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96645265E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77612840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "12": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04215416E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61269535E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90202674E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27577646E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69320161E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01840839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31731851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45704001E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63556906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99737371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49554207E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07697801E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01639940E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07387988E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81457930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49657424E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30731907E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94280859E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97272353E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70895143E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30355053E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89852331E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.88167943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.64065990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96440169E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "13": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22157890E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15957649E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54453086E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02795217E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24966679E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99049065E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07705104E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24983416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36586330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18932643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75866307E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.51081752E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70038076E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26443560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95414963E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.98745273E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60395194E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.65061208E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11056456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00913311E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59260115E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.60503944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93201508E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "14": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04052681E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45312628E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16940829E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71719057E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78191231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.85902809E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78633488E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52888958E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12846838E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50246568E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53084395E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29886769E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30667196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65812543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39331074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.59974926E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24463955E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23477396E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95467725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.50710464E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.69343938E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27082421E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73978756E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "15": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27817378E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76768640E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83218251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04954834E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33885131E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18038894E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52126521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81818021E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94970020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84448181E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39615003E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23961699E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85869276E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.91826403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78899440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00455314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82167337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48745844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.87903897E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12515635E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.91044365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62994079E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69960709E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "16": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54184920E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11164907E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54982671E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24071939E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93423320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38737228E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30098147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12522226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83532969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21651914E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35406263E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58029412E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28066668E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.87268972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08585687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11045374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23339093E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66758667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77518751E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40320203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25972350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02143833E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79833420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "17": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83564141E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48976149E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33136839E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44747214E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.57469222E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60909254E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13372865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45295705E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.78828036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61928140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.40489018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95237127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56419165E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05052504E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27850628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17457206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45062217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71836439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49194218E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65501477E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.76746292E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45212555E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.03155407E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "18": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16279421E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90551539E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18297423E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67123592E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26420305E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84680306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02381594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80283299E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80955209E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05293044E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.55213131E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35714250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94782136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13634523E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54180102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26478698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76934758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76329840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10804371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89399130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13941141E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92464004E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.40546739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "19": { + "references": [ + "dyall2009a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23346796E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.78476932E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41007573E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74788004E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16599730E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05465044E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53274876E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20131036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63465610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.55018881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44042570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30864665E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25541111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36798580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.65017574E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73826462E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03617736E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34142339E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31765579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67450904E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05335610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.29680817E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62260554E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.49320351E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46107895E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03419230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00020592E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45810706E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33804190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.48574732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26087470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "20": { + "references": [ + "dyall2009a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.34294030E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13143411E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67647924E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42972977E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37198760E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75488067E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79307628E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24040898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06589921E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.83698689E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99960282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02591153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26117505E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90013300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38002180E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62961267E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23652780E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77429159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65134662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16262220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25001464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13409405E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00760068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36741186E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38755227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51056920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65373635E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63106572E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52194890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17820740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.60158330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32081131E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "21": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41738427E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41903536E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92827163E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06799578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56326832E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.40053480E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03153468E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.18667139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45940709E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10873565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53794521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18968284E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88489833E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34482262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99786157E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41560858E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15608323E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.81845628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58716811E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41994709E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85244917E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30219949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62543439E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89583018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.70145162E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.90398015E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62427201E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.20758110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40858597E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.44899597E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82410274E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.53918207E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67825538E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56595129E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "22": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59904355E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08220080E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20028703E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75260006E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76723021E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08559950E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28347658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.18272879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87263457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24079581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10726653E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36310175E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56585945E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.24167204E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28581932E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61958016E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58601463E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11258571E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06151204E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60978595E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.65524465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63172933E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10063824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43368165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.67287916E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14829776E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29035248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.17650142E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.11099408E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11587274E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.82718064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17759016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.63676263E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.94276261E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "23": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88945906E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23425746E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49284481E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.48400250E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98392083E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80999884E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54881562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02281940E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30549952E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37962197E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70502486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54357352E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26362284E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.08933533E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55165196E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84096929E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04700751E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25192313E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56525911E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81103948E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50516525E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97932486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24507161E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98934917E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06109796E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37588688E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90307539E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09812314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75717304E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36290735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.72656672E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46226594E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12966362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37468827E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "24": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13028951E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39955009E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80844948E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26777444E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21482853E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.57828283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82909620E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13287460E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76010543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52556093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.33261976E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73185288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98426107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91906655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80646451E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08104978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54076516E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40023428E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09946664E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02404678E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.40339167E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34548422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39626867E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56570418E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15351730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59284618E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51062513E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27670271E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.39818271E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60665713E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.60393079E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73545369E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38970422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58091600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "25": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28370853E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57820120E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.14754996E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.10516328E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46032619E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39168162E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12476279E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24861157E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23713606E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67879038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99081857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92838823E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.73109324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07456911E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05540352E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34126497E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06925595E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55796435E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66542088E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24923598E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.35147081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73085093E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55460820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16468603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24546143E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80219437E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12813486E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45797905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.04999995E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85361104E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.48547948E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00625150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65856471E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.12155006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "26": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45118707E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77207145E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51309328E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.00232712E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72195739E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25460851E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43720718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37049897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73815093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83955383E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.68057226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13353205E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50648558E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15781677E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30156473E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62313779E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63451752E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72556586E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26440696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48702824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03509040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13602691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72039836E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78768226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33743008E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00564974E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.76232139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64398947E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71964740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10661955E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.38284663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27876313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.93871575E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.38275692E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "27": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63169276E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98061435E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90449256E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.95826795E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99949339E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01664042E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76620883E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49845945E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26291290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00793207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.40226850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34753759E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31195123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24219131E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54670077E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92826743E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23865315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90349794E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89770932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73783918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14031561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56159224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89390789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43578317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42972100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20428236E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.41679402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83582327E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.41084226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36718561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.30218453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55517128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23165872E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.69000695E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "28": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82911991E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20714124E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32667681E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09828082E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29530185E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11336562E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11380359E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63316080E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.81355257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18420147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.15694845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57067226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01489878E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32809399E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79211720E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.25834127E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88385050E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09223050E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.56662322E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00208212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25096660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00810415E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07537752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.10989742E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52252236E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39880648E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.09375498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03413813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12580302E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63619982E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.24713618E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.83677235E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53914356E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.98353350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "29": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03758978E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44746199E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77407344E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20655163E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60695703E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21497665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47798474E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77395399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.38806261E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36827462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94440489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80309215E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10183453E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41578813E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03854960E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61513789E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.57239731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29224971E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27247632E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28017782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36718929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47612718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26503830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81083339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61595462E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58972602E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.79468770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23937001E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.86598286E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.91424038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02200580E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12440496E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84632713E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.99320662E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "30": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26747490E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71105177E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26192938E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32395406E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94321251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32412700E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86763519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92399027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99734993E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56276938E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07796221E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05767637E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20579026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51791203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33675189E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03597448E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37444683E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52380423E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.08688578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.60076691E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50132696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01872232E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48276318E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.59036439E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71168243E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77340544E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.94217597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58060338E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.12281452E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41834351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22183430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85370795E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.29706214E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.66610901E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "31": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53393780E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01895586E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83285650E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46132080E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33631952E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45157280E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32161744E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09781232E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69253704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78236187E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17396176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39595177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36900330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01619295E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35445663E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.12265211E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04125569E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10993408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11520023E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42424276E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85498567E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.69458328E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14658456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19940686E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39820927E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.51562571E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23474619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.60838769E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29999784E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.07899106E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95065344E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.96231835E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91389544E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.93743940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.29394340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "32": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81751730E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34730369E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44026065E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60691681E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75135539E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58563409E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79749083E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27937937E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41654307E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01238979E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27489877E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75624900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54617527E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54786891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46052718E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83184125E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17093418E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47659896E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24278408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.92665014E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06827795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66977158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55761073E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37832276E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93966317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.41712236E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42828940E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.18532206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51670034E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.98781134E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34286056E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.62070416E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43551427E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.64271290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.66656260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "33": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12433336E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70089365E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.09073834E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76195211E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19096180E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72695276E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29694027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46916828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01707962E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25284663E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38072306E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13706450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73598747E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11494199E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16970807E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60866375E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31073090E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86811211E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37819778E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.45796177E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29356558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69590458E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99224595E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57217638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59097324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05285744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63399733E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79699638E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74693862E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.95636942E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76398160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04220715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02713194E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.34798650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22852480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "34": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44182887E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07068138E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77244849E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92426126E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65024729E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87425360E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.81631156E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66608978E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09522841E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50346902E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49130743E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53761700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93762065E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71820397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40721423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.41469836E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45355104E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26408063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51422736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.98886667E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51773684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07012630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42319557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77020284E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28396295E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27540235E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84809810E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43191300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98619765E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96442614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20429727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23191148E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.65720969E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.05326000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50752950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "35": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78958133E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47177995E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50617210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09773970E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13808262E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02984561E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36219834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87212821E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17667917E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76490147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60686781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95782770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15077460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35777194E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65871691E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22636816E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59529212E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65309949E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64692205E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50352075E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73373645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16494781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.83745152E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96737053E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00650311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50759924E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07075719E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.09053896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23455412E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.01205758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66355605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43085343E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32158952E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.75853350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.79715170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "36": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14098736E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88473543E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26640299E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27776348E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.64418072E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19109855E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92722388E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08512335E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26083423E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03665991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72720374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39736984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37509131E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03394409E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92437314E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.01590791E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73131083E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02261944E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77201567E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.98507883E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93416011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25014174E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21990010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15741984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.74981830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74772323E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25939509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.64569801E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44283436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.88093527E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03887103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58810227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.65251237E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.46380700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09744120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "37": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19635264E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95185268E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87418244E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46021632E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24593817E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38817217E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.97244830E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91561348E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82494503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34934243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47589918E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03412778E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91644514E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38934163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34534143E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39272605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.10622351E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51565722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19505930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18224075E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45122358E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73849877E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13038413E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.77048619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03822935E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19282693E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.04398842E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24056742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.58812594E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21889631E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86157791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.51249400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31308269E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09882700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35878058E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29313328E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92346311E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15468718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33767148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81807563E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96570358E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48160781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44919987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31308269E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52240840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.03966290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "38": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33040464E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17820441E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.36769195E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58723283E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61892389E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50982015E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.40460883E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08024771E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48931577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63023306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59909815E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.61625372E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19274323E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51773615E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83906209E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64914458E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23945441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18364589E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57654590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52582726E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29762764E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02905846E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59644277E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.97247387E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43302328E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34278617E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66766122E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52411443E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10542882E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96103740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24113841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08239113E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08061783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52552630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.22782563E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22690315E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33267649E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27365286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79046900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01243698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.85648167E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90027701E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64080283E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.95251237E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35481100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15773688E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.81702130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "39": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51842146E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34580477E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13688574E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92930297E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.68989746E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87248835E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03524133E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.00315190E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64061162E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05650418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15892518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44957297E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08536580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97252838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44898648E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04562563E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80277639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.34352146E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70326798E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73835672E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73333957E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27720241E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98850649E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09676947E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75599727E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46425247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16902439E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72251797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18146007E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30786688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41592236E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.12078845E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55157071E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80675520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71911945E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.36710384E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57343871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.94444107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51444951E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12376257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.06201960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22752100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.28852074E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86905339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.90967784E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.70596370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.43324450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88717700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "40": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66261600E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64491645E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20995401E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13019791E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.30426785E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07789483E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10935086E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28841698E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75662621E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.55065637E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37750324E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54867099E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52391836E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19319747E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55882526E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.51594466E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05021335E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.38422853E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17692628E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71573813E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06051300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53147576E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38593352E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19646443E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07670469E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58409616E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66133225E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93713975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27646908E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75536584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63404421E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01538082E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98177907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72340080E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95586643E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71428443E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67337655E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.32101374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67571344E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19744072E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.41600488E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40491557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.08048315E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.27333380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06070111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05908110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.72998380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28998460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "41": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75878601E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87797865E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27031186E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30099485E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.83524153E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25713585E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17439194E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53964221E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85903130E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.98781914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57161560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63730199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90587683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38223133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65292999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.94367647E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27730375E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02475501E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43062316E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33718011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94903608E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73329804E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69730148E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27334189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32069799E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67419731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02724192E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09462199E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34448574E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07422990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78865734E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10651536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36702129E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.49875377E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14810912E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.54435959E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62392007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.11852315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58277942E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14795285E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.16345120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28354886E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.75540311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.11593617E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.81660004E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15100570E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.49721600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18902490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "42": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83058379E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09275156E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32985625E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47536507E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03889211E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44671709E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24388723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81010769E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96991676E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46322794E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78328455E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73406997E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33230130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59526073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75941755E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41776411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52952040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13033758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87015435E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96270368E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13525164E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02212236E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.14151971E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38269223E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66755743E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80248048E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55015578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32114883E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44360139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53847361E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01093462E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21059204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78587598E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02636224E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33412455E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.86959636E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71727603E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46816981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73102912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21406955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46937997E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42362611E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.61420781E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.51157705E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13119386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24615120E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.75480140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42226160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "43": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98243832E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.42123393E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41263189E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70748734E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11076583E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68873582E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33152391E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14789692E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10727535E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04760483E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04122752E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85077975E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.86079726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86174507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89190567E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.97460107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82476337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26456928E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.57723601E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00970508E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81047930E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43124287E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76707871E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53562355E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15073580E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98090543E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27831599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63804352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58508516E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.20043622E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32951159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33497729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.26297210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10644282E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52385001E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.78961567E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98128178E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.47599886E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16801898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42034118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.47562051E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93085911E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19846284E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59033189E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56831772E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.34456760E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.02895210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25818730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "44": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03812002E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60075871E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46399959E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86025726E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15963951E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85647285E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39296584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38641833E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20474722E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46440287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22680281E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93597275E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.21597041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03495589E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97916502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39892076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05221322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34939869E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76530492E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.10344257E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46272683E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68472206E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.14839154E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62679393E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43300979E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08323955E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.68799503E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81212317E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65843297E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.54355943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48978870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42811912E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.64580269E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17028266E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67067178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.59575079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92507537E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.24651393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06142742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36211805E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15577688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72493206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12938004E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.27349293E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42057850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.44647510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.33445740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90509460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "45": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14936331E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.86698984E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53427142E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06218571E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22303683E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07153699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47111213E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68792157E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32733027E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.98585898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45732886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04076251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67384737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26205521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09269667E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90764050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32319952E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46482930E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23436678E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65759476E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62654771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06381666E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.71821328E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76291546E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85501053E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23674234E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.30649259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07796729E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77495679E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08816346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74867630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54256489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09194240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23961866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82710925E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.00795941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04262319E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68700502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.24883913E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44674853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.55265587E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90038094E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21821316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66483823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56775396E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55166920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07042480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15634700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "46": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22501375E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08868563E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59711213E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24932399E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28307222E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27805318E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54687128E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98222613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44757500E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04992384E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.68502068E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14462761E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.12558043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48566335E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20501797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.42145888E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59740257E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57990828E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69465867E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02031854E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77422908E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34041481E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12852956E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85908587E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.14790185E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34157570E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.72179934E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25277199E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84788802E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.42960080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90097246E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63382283E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.47089065E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29882932E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95406796E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.92813364E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01911419E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.58423647E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.19806432E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41645414E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.37983417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74495340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13953861E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.25395601E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36462187E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.66107850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17179810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67287260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "47": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32627709E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34385212E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66641639E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45181262E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34729495E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49717156E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62672078E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29062147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57293165E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10320078E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92032862E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25155782E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.58786723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71375422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31948630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94563972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87663809E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69830415E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16532998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06561021E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88743699E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.93286699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.01125787E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06723381E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78726782E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57290096E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06527175E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65430862E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02833211E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27018045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31021780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78478971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02501633E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37585114E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12471047E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.92098491E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30197607E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.65820960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66241210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63442311E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.44068013E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30023570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41018351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.49023252E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87410030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77308350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35676380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.70459630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "48": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35489719E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53264160E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72999067E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65687576E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41634628E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74258706E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71890494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65518177E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72396068E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16836154E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.21120410E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38463001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02064111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02571146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47549182E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06064166E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22885632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86296961E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03171999E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34596600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79366275E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58689516E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.97835528E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29254070E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.47251192E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81904394E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16389591E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07928428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22257361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01643302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74039724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94121095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.59796223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45505666E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.29142644E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.90961058E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58204098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.71801469E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11992952E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84928640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.48920451E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84396304E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67489881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.71986470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39125379E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88859610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54575320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.86147360E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "49": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47385919E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.84746953E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81845148E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92160052E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50183486E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03830604E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82783592E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.07947323E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89756257E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24246788E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53880248E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53316236E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09014545E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37405939E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64745385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13185663E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60695039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03797049E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.97637569E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70387417E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30363231E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52811632E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31102862E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48315297E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69249982E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16342890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50226953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08979898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96529293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24311921E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04552603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.93647170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08406173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.38431026E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88292155E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.50115276E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21604575E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49566731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31845522E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.62844092E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57312214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20908676E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75825571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61040238E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12466116E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51079303E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50882920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.72896180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.81789580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "50": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52454474E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.06913583E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89030230E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15164594E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57917873E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31299541E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93090892E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48643551E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06581053E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31489101E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86133042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68053609E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15960596E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72055564E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81847965E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20444518E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99464606E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21813817E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96628933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06852767E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.81075870E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75024680E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62827500E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16829182E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88575085E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81964315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75536358E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19641083E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44395323E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47637780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15612755E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49201008E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30932764E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.44728464E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21380094E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81775450E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35467891E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.88072853E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46260893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.24965159E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86563738E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35268000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.48705608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97708822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30747793E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.38655350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84430760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.96599480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.27041910E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "51": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.63134065E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.36845994E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97735147E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41778775E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66635891E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61734474E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04366457E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92710090E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24642723E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39205923E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20277009E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83575206E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23269536E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08236360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99592243E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27965036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.39705264E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40357154E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09988836E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44704564E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36768848E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00137952E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98583849E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93385476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09933878E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53837270E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03065872E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31189362E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.96180158E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72946125E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27429080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07654083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54816358E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06056905E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62801937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28808970E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49993943E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28185737E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61218619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.89311912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16808458E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50116370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.24046742E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35932073E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49989506E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.31672285E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21234800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20302790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.85180770E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "52": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60876438E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48185531E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02935319E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60649984E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73423633E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86865858E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14064360E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31765178E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41026858E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46339902E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52363087E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98384036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30289566E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.43051359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16829645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35535279E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80430789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59330173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20660620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84056038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09830964E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26468078E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35991490E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72803459E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31840208E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26824561E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30800651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42756809E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.47839168E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97970683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38969575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64134641E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78449372E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17847600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06494951E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.81746816E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64872625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.69035378E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76389881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.54443007E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.47355997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65110620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.00141748E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.74770432E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69671413E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.27350979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59354130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.44006100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04949990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "53": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76716569E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85780213E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13271716E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91444786E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83355348E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21146979E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26645336E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80519941E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60858100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54755208E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89378471E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15140312E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38182652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.81673701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35643795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43531864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23366317E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78850745E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31752658E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24888716E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26580436E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53817535E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74699676E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.54270467E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54055332E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.00086660E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58408502E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54196337E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.98648702E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22303175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50109163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.18477925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01682750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29734703E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51707219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13965453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80142819E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.10725112E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91813939E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.20523022E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78288870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80291432E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77223438E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.14272362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89787537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25505789E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.98523850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67709400E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21693500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "54": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79578326E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04292743E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19959406E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.14117878E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91258945E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49876195E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37589185E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24138595E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78988485E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62580877E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24292309E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31147981E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45745038E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18803328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53927479E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51571648E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66704355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98773483E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43153305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67400732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44011855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81773747E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14212882E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36856349E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76346063E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.72894041E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85623880E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65397231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.48094176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45694513E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60788107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.70648406E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24418792E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41638808E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98205340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30222232E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95959651E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.53672740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07645956E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.88217231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09925340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95816201E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.56107055E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54825152E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10524778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.27044060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39242330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.91412710E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38446680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "55": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68419928E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18980184E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13233512E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26210348E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01195802E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05703979E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96053805E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56998282E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53680880E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84080566E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28172758E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97552533E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85230780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28932128E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44333030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25379732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50895198E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71419575E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18814233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54643756E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35368647E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88057238E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30668254E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65874195E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22338533E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60395294E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.11403691E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76882809E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99557987E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69836616E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56615246E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77727290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24808163E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83470957E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70830478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30927539E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31972955E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98545497E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38364515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70307672E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76200270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.78294801E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70563336E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09816303E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16459539E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.09062810E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28015640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.75322604E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.50712635E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15941202E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05894267E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.08524294E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38315250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06776607E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09235869E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30561828E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.22075552E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "56": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69135026E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20875112E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21908096E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.59870904E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.14098597E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10732938E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16265510E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65400398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89819498E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00136666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35519711E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32015031E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01640318E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36783470E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.85138447E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46582573E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60287514E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22436037E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44204041E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69301170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08378872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35433888E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02287926E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54603122E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94599612E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.55049701E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.46016392E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04569860E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71527558E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92423617E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38387377E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10641287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39076086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48896961E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03626404E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47797558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.28441861E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43669317E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60818329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73292126E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32371109E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00957254E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28336771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02508389E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37019409E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.64271343E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.48233394E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06158806E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.90999707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.35781807E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16020581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.61444245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65873229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20882023E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79742212E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61936729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.53099028E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.49334865E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "57": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77165338E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24013118E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33350986E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00069311E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29083179E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16423018E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38724811E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74610527E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28995141E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17368626E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43332896E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68361366E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18821458E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44968340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.27326057E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68253536E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69878537E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.74326996E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69309920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83772195E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.74640131E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70300834E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.45962386E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28221473E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21925924E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75711517E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72077418E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00457537E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26808244E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22066404E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.03870757E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23317269E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04099872E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00704251E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42811868E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21502569E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.90635856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.91276098E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41488463E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.84793873E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44835287E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76986554E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14413791E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.80149986E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.79462129E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90332289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24190888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75626808E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77956316E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37738791E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.78674241E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.28206399E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54076751E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.57082185E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40854139E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.89842521E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77621760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.45269900E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "58": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82747627E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26315591E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41959183E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03177812E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40553603E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20781049E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.55893404E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81625334E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.58697652E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30375243E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49209548E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95692764E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31848413E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51071529E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.58069455E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84173139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77718280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16147376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88785412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93224415E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04052178E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82329522E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61968519E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33860359E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33420489E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92206987E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05579327E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08856257E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51845342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30695241E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37153564E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37301759E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10350552E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29976217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56525567E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28266734E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23356279E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07222880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48906944E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.12512708E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55027415E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.94901655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19640756E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93427825E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.14404048E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02926315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29480316E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.99956074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89729020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43649794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.07746494E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.42141538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60227623E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.76194762E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46962789E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.05358741E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.95268772E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98956519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17114131E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.94920138E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.08590602E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.38090495E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.97149435E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.02209963E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.41154840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.84871770E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "59": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86883776E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28111315E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48805368E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05670390E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49786369E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24291607E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69703425E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87249858E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82406963E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40702918E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53852358E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.17235179E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42174752E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55766972E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80980170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96109515E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84337477E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.50622562E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03760837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98513156E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.00844004E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73216961E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96588572E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09787542E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43094841E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06072918E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33571504E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15801843E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72269821E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37632734E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63542405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48234028E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15174624E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52297276E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66582384E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33007311E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.42173819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14735968E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50774122E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.05255751E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46704575E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51921949E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07334488E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07421849E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.51108591E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16127875E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35018730E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25414149E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02053376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49836471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.38215251E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.56729610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66676810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.96696088E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53492688E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21780265E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.53102916E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.83430759E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10386278E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.59551995E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88669501E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.25419325E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.41216336E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.05128561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.73613050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.29340750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "60": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91960417E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30288379E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57159637E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08739088E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61253475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28688121E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87134258E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94401183E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12761723E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54010513E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59865643E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.45185358E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55491373E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61988575E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12174063E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12263271E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92426689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.93561196E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23618786E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08005530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28917364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84226847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09300001E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14263985E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56009152E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24669640E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71270146E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25187665E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99933800E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47051521E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99480304E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63196534E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21810934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83169788E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80949666E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40058419E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.75959116E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30996386E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58218082E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31785482E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56017993E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.67403878E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11919582E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.21151433E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.86972367E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.28987632E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40398277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.50085160E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13966209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55798625E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.67292055E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.70451778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72590953E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.13540073E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58198229E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.31470491E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.18305837E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.05830514E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19554852E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.00000751E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.06244396E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.96687310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.66053151E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.26513607E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.03288990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.68510500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "61": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92678520E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31621728E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63550335E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11307256E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71343240E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32679589E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03302671E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01137507E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41685622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66803564E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65687536E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.72412644E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68548988E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68130931E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.42946578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28245814E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00587195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03684475E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43725680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17556533E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56843795E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95108925E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.21900507E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18678427E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69699875E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44477251E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11448198E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35166595E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.29194871E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56954710E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.37060369E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78770175E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28690879E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.15060964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95755800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47314614E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10716017E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47660431E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65821000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58354478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65234196E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82717378E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16428270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35128339E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.23352864E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41999964E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45831305E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.74967151E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25969894E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61796997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96435153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84118383E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78426523E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.29457403E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62333197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.38800270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.81090003E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.27343800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28363363E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.38698483E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.22932657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.63566892E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.88930549E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.71567543E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.32314980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.02318920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "62": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85300668E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31353563E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66104203E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12864621E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78548130E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35789769E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.16614593E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06897381E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67109772E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78288819E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71003709E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.97642934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80833476E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73997422E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72342556E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43603496E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08719407E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08001709E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64027819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27156206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84853256E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05952156E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34484160E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23062682E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84060872E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65428689E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54053274E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45737046E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60062560E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67346436E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.76298243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94961540E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35817638E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.47987421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11010114E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54781348E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.46478624E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64752181E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73597267E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.85095520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74415459E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97993569E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20896308E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49368960E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.60291434E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.55178933E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51323288E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.00082552E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38074576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67836726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25680546E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.97755448E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84201151E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.44531491E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65958030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.44047221E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04243499E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.48322528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36953556E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.76302950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.39042742E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.27447784E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.10406185E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.99005200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.61136320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.35774080E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "63": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89538554E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33287042E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73884430E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15817255E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89847350E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40195017E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34289393E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14207805E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98303716E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92007158E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77212419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.26522990E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94613591E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80455651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04568108E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60292468E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17260086E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12513662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84878735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36990352E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13039061E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16846210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47108616E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27446778E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99716265E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88194004E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00204494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57138047E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.93149227E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78408859E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.17807165E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11998913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43282388E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.82333208E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26860587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62520609E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.83526638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82407646E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81610843E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12206697E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83633868E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13374391E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25370404E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63907097E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97872972E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68554140E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56886633E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.25489024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.50308865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73932232E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.55108470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11409136E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89941238E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.58904056E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.69136304E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.47451561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10292744E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.68977016E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45410131E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.13207092E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54759543E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.89166108E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.30817387E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02652387E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.89399590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.69244370E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "64": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86936086E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34069710E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79545439E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18412129E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.00811759E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44741945E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53346270E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22354506E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.33996124E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08050625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84606416E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61398933E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11377417E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88556678E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46053105E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81937295E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27539008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18026024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.11501315E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51385210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.76006199E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51963905E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60988399E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68478875E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20365964E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18566899E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.62213196E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72529370E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37925518E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93400563E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.74146650E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35185478E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53465903E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29246146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48997842E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73617507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.42554096E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12524934E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97291666E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80418851E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14666579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.01632546E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50228106E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77728178E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03344762E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81169286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62113244E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.49274575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.61718508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79588645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.81970128E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.23594361E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94843327E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.67397818E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.69672492E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.40933153E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26562245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.25447039E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.69101420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.23611604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.07455908E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.23625524E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.35338874E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05171445E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.23840100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.91845670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "65": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89674011E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35438026E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85294705E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20643787E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.09462147E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48133330E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.66964004E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27970336E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.57825595E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18453707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89278376E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83025182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21764764E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93287830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.68489361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93440491E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34646612E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21694404E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27579368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57069988E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70453127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38884860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72675416E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36260508E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33843599E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38259672E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.01922337E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82214123E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65468332E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02389755E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07077253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48388746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59132312E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.54873463E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.60208126E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78766381E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.61322898E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19346832E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98323141E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.67668195E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02261707E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44707342E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34372708E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.93958832E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07517073E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95963309E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68255754E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.77301241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75226266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86319918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.14676288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38866030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01375875E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.85844028E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74298991E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.49315458E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22274557E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.09809912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62121967E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.85836365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.85447810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10809193E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.69253717E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08638020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.49742470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.06910440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "66": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85718835E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35634488E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88755490E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22445586E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17501789E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51562926E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81571822E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34270145E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.85536530E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30920085E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95021198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.10142129E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.34916407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99570476E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.99726508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09662262E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43424252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26331841E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49393316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67311108E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99848619E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50094097E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85656369E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40700689E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52309351E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65642435E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.57740050E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95960556E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04905075E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15368207E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.55027250E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67805976E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67541569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93163691E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77744074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87291129E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02173047E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38677123E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07039817E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.96121233E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11714367E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60788264E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38940301E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09519081E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11500034E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10035394E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74076858E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.03774939E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.87941466E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92627795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.44903388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.52720560E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07099548E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.98570267E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76356675E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.48057842E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28251614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.30146426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70440655E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.21853619E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00557214E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16592940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.87537462E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12411948E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.79772240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.25551900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "67": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89091894E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37295864E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95866148E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25262796E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28631707E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56001877E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99679460E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41846736E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01811734E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45317077E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01553854E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.40562720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49454559E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06425640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03374825E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27231546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52631358E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31179280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71860144E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77852109E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29780447E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61497475E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98802033E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45183344E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72351204E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95321330E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.18121984E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10785559E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.47224522E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29209364E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.05858347E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88282279E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76369309E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.33195482E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.96017459E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96157277E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.44712126E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58765983E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16084632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.25255959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21323494E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.77286419E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43586635E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.25447826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15564324E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.24359953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79991515E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.30636251E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.00831033E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99012848E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.75432110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66664291E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.12830362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.10801420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78068619E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.45369806E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.34239236E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.50499582E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78762478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.57800663E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.15570623E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22296058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.05312827E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15742788E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.09790340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.41687560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "68": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92268980E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38893958E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02810159E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28042383E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39694823E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60436389E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17831078E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49458115E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05088743E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59805488E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08128743E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.71178121E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64091487E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13337031E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06796876E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44866890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61981866E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36100107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.94749542E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88587111E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.60317940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73093352E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12132672E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49707850E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93657606E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27036348E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82731528E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26632973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92304439E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43877465E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.59443281E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09767174E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85594484E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.74878264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14995550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05352129E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.88886489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.79582521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25438695E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.55058631E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.31090104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94251536E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48319839E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.41762342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19713972E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38950007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86004830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.57907614E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.13905464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05480154E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00628977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.80713032E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18576873E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.22579722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79454494E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.41332166E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40247797E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.70905730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.87101892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.93743190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.30519032E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27932814E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.22639195E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19545942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.40092920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.56074430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "69": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91592108E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39669620E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07671325E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30255512E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49119308E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64370464E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.34379969E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56533025E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08178690E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73615718E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14448820E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00081145E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78360881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20134697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10159646E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.62200327E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71374397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41048849E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17973655E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99482528E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91514937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84895833E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.25669171E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54279139E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15936615E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60534687E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.51232511E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43445496E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40018936E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59335390E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01564700E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32205455E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95193393E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.18108114E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34637547E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14857987E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03460482E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01077749E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35075113E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85502933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41011012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.11711332E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53139630E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.58473986E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23951451E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.53812809E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92119321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.85598353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.27168098E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.12030821E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03748083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.94869744E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24340545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.33901834E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.80516481E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.35971485E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.46285417E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.91393142E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95470107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.29731938E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.45426366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33514216E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.39562294E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22280806E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.70767000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.71564610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "70": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87148847E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39601904E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10291279E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31831112E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.56614387E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67687226E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.48850323E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62873290E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10996886E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86377573E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20349508E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02872271E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.91933351E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26679818E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13390158E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78823355E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80705312E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45974485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41445953E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10501748E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23392303E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96898929E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.39428583E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58898551E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39128349E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95822826E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02373676E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61264417E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.90503016E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75626630E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07461702E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55651360E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05187575E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62976410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54988642E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24697591E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08200236E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23312464E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45020865E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.16660893E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51112309E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29788020E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.58071180E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.75587491E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28277524E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.68949579E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98335032E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.13707032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.40617489E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18663782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06899927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.09132252E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30120297E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.44748540E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81250944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.29297214E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52358461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.11983767E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03875741E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.65805353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.60310594E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39048521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.56116586E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25886877E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.01857500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.88485980E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "71": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90829691E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41470444E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18721744E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35323010E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70920485E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73558594E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73368970E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73331785E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15566925E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06843308E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29735204E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07271468E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12910665E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36747961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18536387E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05803875E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93361596E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52697315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73185531E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27206734E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96056799E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39944768E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.95546641E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15189240E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73654676E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48506906E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13247529E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88127183E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66973978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00403790E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16466352E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.91629492E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20594128E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03235989E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87207549E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40730485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16889082E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66439126E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66781267E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00169614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90116891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.45512386E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89815034E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91779330E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32352927E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.83152178E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04141147E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.39847241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.53068965E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24763303E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09743984E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.21637698E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34887302E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.47472067E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78233672E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.07718041E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70012443E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.72997174E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29587582E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.86056222E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.17796194E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.66013780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.71462046E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30708647E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.57287740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.62209500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "72": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87243620E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41747200E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23014121E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37667402E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81866404E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78398974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.94599764E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82709032E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19770887E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26033100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38671918E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11515966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33408344E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46789234E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23689284E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32869178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06199999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59522134E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05539380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44481225E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06982592E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76938206E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.15394996E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58677096E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04973289E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97166590E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23354351E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13115701E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.37840415E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23196460E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24680285E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24178262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34433429E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09434670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15964591E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54996328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24423228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.03368783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85383465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08167322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26117130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.41138698E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14783426E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23277679E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87119865E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26122724E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37529808E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25369758E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96118835E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40215822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.50211299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.85832931E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01462091E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.36693168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.61593723E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33440437E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.91613381E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23907453E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43875053E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.45958282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.80705282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12799602E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.85475487E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11953270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.14482820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "73": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90224267E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43339132E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30499750E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40860425E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95238995E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83972935E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18138995E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92828894E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24216699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46007117E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47848878E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15823580E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54014985E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56744236E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28747806E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.59273050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18979924E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66340117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37889068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62115576E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14561827E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15254061E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02452703E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93051986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.41609118E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.54185323E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35207978E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42422983E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02081615E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49791299E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34225135E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61859909E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50410598E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16580274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48814775E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71166732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32915558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44144291E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05646937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16517745E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.62120027E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02664742E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36038552E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39750237E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.29704239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41266965E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43817485E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.54023040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09895688E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47017949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.83553925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02518574E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08755428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.76593302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12421518E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58359409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.76728716E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.60567724E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61180870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.32100976E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23704754E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33572913E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.74766339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40593440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.73012670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "74": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89486040E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44070221E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35631737E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43373452E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06548025E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88892006E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39513348E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02204600E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28397456E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65005292E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56656019E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19988485E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.74088445E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66527833E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33720973E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.85279739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31821033E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73209945E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70741883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80272419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22469783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53733588E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12566398E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23961480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.79971658E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.14887720E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47921399E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73960360E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11009280E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78314170E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44416267E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01916443E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67337534E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24137402E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83671290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88291858E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41881361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86533841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26623219E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25130227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98501311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10731145E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55460066E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57423197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.75233417E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57425265E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50519306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.84571992E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.24602555E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54322894E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.19626846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20850876E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17362261E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17928550E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28319855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.82322994E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.58440682E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.95772430E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77787614E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.14859992E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.65176667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53726808E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.61430649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59256210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.32737660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "75": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88559525E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44706943E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40419732E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45778202E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17541137E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93723958E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.60666531E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11531516E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32571409E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84018438E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65484404E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24168515E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.94265499E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76384816E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38725713E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.11444138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44881047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80205937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.04250506E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98997023E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30707491E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92741908E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22193649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52759578E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.20757048E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80267194E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61694479E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.08211391E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20700434E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09173362E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55391672E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44861897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85423872E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32199249E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.21064318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06617748E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51454548E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31041930E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48552798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34048666E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.35588998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18513934E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73670806E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75641127E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02198342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.73969296E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57367949E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.15750058E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39607822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61776843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56543559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39798385E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26490901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59750744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44037681E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.05940194E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03883228E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.30377829E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.94095450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.96137545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.06003639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73647706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.47139292E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.92373800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.93607990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "76": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84125258E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44503814E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42839448E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47483755E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26379383E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97863824E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79516346E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20067941E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36467232E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02031757E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73946740E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28213126E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13960173E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86093142E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43663912E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37357275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58020956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87262460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.38274099E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18205804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39266806E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32460823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31531302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80245999E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63097397E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.49564321E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76435825E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45053728E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31139044E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42347769E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67147514E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.90685097E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04668433E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40769039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61104476E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26176937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61640026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77606455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71420645E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43272601E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73510191E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26131810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91026232E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94200435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06942094E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90704888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64280669E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.47164194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54714283E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69269087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.93709403E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59028324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35907036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.01883704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59699321E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.29395263E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11858306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.64688740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.10266663E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.76801688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.46633266E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.93549267E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.32851638E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17768010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.55613430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "77": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86240443E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45733454E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49087581E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50308248E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38751186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03189396E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02552416E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30144272E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40949280E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.22342920E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83333232E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32637599E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35231652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96450409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48905039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64707995E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71687305E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94587421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73252373E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38075762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48134344E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73039215E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40696570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06848198E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09940639E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.26349664E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92779539E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.85880292E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42681909E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78873895E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80021216E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40603962E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.25551719E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50051704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04777000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47383843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72631715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26900882E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95518753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52857591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.12544673E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33700784E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07844370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.13017941E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11732959E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.07553432E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71223925E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.78654744E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69841212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76754303E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.30876302E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78391760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45512934E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.44288137E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75374449E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52899412E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19840640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.98999182E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26437753E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05750412E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.87368019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13564606E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.19145346E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.46251920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.01876050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "78": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86523222E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46509179E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54024629E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52743078E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49936115E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08144309E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.24407556E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39837555E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45305725E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.42240054E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92583522E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37018241E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56384276E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06798748E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54143442E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92090504E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85527318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02016600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.08793459E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58422757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57298428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.14480876E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49761303E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32813552E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58812096E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00793453E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10295974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29831050E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55123428E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18167400E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93817750E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93881697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47772944E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59917370E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.51490188E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69898833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84212154E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78007220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20472312E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62738023E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52530577E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41228970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.24167938E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32044309E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16558301E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.24469348E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78178267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.10128713E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84941157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84205784E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.67894135E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.97790975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55252941E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.86934064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91099852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.76572611E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27871037E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.33480736E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.42690393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13864676E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.28400791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33781163E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.06397634E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.68636660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.08306210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "79": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86641871E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47205722E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58655973E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55076534E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60812627E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13010156E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46022108E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49471948E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49650967E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.62133979E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01847450E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41410537E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77622614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17205973E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59406918E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.19614087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99569716E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09561152E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.44951963E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79255281E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66761501E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56928335E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58858219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58685362E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09851036E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09449144E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29019969E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76987962E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68483838E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60271592E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08541062E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.50485039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71300001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70343965E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.01063283E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93569179E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96270954E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.30521856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46130136E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72888592E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93419480E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48736933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40065837E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51257515E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21412561E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.41432592E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85135061E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.41544342E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.99992280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91611025E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04686529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17163911E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65092857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.29799134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06895064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00441892E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35960199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.68188195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.59058138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22043037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.69842522E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54253879E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.94858020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.05376020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.14853380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "80": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81789967E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46710856E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59876991E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56383633E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68471673E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16831854E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.64143439E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57904821E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53573459E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80514197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10564267E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45606171E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98194852E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27448739E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64619814E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47070334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13869210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17300519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.82788094E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01282867E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77097518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.09487289E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69475032E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90513996E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66143432E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19297811E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50675102E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32093964E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84199043E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09949117E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25926161E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.17326364E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99115070E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82712699E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.60479214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21475712E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10334669E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89786639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74702233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83719031E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.36726823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56557324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55705435E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79968951E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28668689E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66880202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95626062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.89419813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.23148375E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03451499E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.63959419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47359426E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80241774E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.01705130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36689729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.24155820E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43982705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.02529845E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.75231004E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30107081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.10672932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74486516E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08471151E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.40593950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.21519160E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "81": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80338285E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47025619E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.63555754E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58527398E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79246257E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21879438E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.87307796E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68480778E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58432979E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03105139E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21218877E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50707828E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23010621E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39805146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70939014E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80173226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30162250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26098628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02665686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26482246E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89889444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84613719E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01065745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.32370907E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37282646E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35721283E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23566782E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36290763E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01480894E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31820210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78798622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90284415E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.15022877E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69676016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75043773E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.44562670E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20432285E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11720749E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01075987E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90314928E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96328877E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.05496991E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00496286E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.59278837E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.80668020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53461202E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.01015229E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75502849E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71843268E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.32163373E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17508976E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11097058E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05041178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.14706485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34214699E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03451933E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21552202E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50267783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.89995595E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.66331967E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.99800850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.21750898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54175772E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.36995778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.40866133E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41384687E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.52629430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "82": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78790468E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47277856E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66980788E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60593717E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89847781E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26912673E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.10631045E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79208693E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63391338E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26252891E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32169850E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55964749E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48637891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52613276E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77504674E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14632745E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47101722E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35272879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07214573E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52715061E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02746272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.62040984E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32944034E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.68598864E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44315847E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50743314E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60444246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46372787E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31579089E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41524402E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.12587435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03021930E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66820906E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92148422E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85356353E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95192825E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44857645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24228444E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06751765E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.19177307E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09083067E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.71717990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16745290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58254189E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06108755E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73011313E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.67314733E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02389437E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83970261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.91221384E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47577918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27108628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13491680E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.59531052E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58639830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16289182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.85219166E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75459932E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.20138448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76510085E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.43430142E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.42407420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64610261E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.90770330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.68433522E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54783108E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.60408710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "83": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80226841E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48197988E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72238743E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63218333E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02327402E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32625999E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36570190E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90989196E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68788402E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51276737E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43938033E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61581494E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75851541E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66121900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84400480E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.50651171E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64662683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44772899E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11901610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79784882E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15870772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04226135E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65908662E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00734400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52678508E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68636941E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04560600E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58483354E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67858698E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53250769E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53455235E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18424309E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.29423926E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19320068E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97851207E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.56967864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74356303E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39296309E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13516041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53461227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24108719E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53174998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48293103E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79158225E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14563420E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93479123E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03643045E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30323545E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96540411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.52357533E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78674481E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43647577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22239217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.06071971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84128694E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29733557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52008084E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02232067E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.51023047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86924359E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.88015411E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.63519861E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75278866E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.45836180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.96752275E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.68654417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.67301970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "84": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83099270E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49430679E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78316183E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66076999E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15531036E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38575062E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.63301741E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03038171E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74276022E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.76599981E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55802853E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67229646E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03189111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79694900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91317460E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86768775E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82455671E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54409112E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16672459E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07428396E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29230811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12470444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99794160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14926500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60947307E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86516751E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48913936E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70700193E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.04504867E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65086424E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.94571483E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33841649E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.91719770E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46207589E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10147178E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01715388E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02831330E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53679474E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20014535E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.86779855E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38995036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03602518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82313749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.04113582E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23256609E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14433523E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10687289E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.58688520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09270647E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01414646E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.10053207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60297016E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31054355E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.53090018E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09916893E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43365559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.19815647E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29483247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.82612869E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97561084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.33493584E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.85056868E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86165214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.02103234E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.25765078E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.82952431E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.73526070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "85": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84244092E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50209341E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82965478E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68476525E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.27250219E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44042340E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88469174E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14580280E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79601077E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.01410800E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67511528E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72833709E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30437479E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93276071E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98241093E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02297017E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.00479865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64182357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21526000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35636699E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42798951E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20909391E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34586720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29471622E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68580977E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03531193E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.91745658E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82596030E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40346837E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76678260E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34774612E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48856435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05207443E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72117514E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21927629E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07421196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29690220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67152734E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26155116E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.18686221E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53471710E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11839341E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17263922E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03102418E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32162902E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35817578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17845424E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.87406344E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22124347E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07639309E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.41610092E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77000451E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39904848E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.00395005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35866386E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57110943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88260345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56992818E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.14902927E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.08417199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.79848050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.07008509E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97263216E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.59533206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.55444773E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97652644E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.78194270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "86": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68476598E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46794059E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74912556E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66787655E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.25170530E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44681432E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96160398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.19595350E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82417354E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.16322270E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75224966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76799035E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50979574E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04118111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03907122E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05354324E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17227450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73375318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26282083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.63534680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56553897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29475083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70279586E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44373172E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72824122E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15641728E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.25282723E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92412503E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.70898829E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86765023E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.70190435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62169163E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10574454E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95179408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32404364E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12459428E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53557248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79136374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31728352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48261416E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67263353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19863600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52585561E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15893147E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41613025E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.58429411E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25385658E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.17561771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.35591634E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14150621E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74581199E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.94435853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49162359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.49983429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63156854E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71598621E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.60663337E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86675318E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.47900273E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19493865E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.27081990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.29375191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.08572780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01812229E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.85784113E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12743536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.78889640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "87": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69630961E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47558891E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79624375E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69317756E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38004941E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50854751E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02530484E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33247507E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88833063E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46686777E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89744796E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83823557E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85366034E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21553074E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12904353E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10053812E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39654059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85668194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32689507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.00408107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76305078E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42154544E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.37356599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90085430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82410150E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02896085E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39926505E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23329240E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40212227E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06185638E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.91488445E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.84782509E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92886180E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05235754E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09333750E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71239751E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.62025844E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56063114E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72502876E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46581820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32526640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19919582E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10856262E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61918066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59914486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20920922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18671296E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58679899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53141920E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64324832E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08516860E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54755674E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.89833144E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35839627E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.59356427E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54268509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23206033E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.20574287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18981161E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62413605E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21563086E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03627378E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93090740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.71728483E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43448617E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06983930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.41664157E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17267788E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.16350256E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.23759816E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.05140277E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.97658782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.73487106E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.06508071E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "88": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.67637283E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47473626E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81458493E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70814693E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46988075E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55558345E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04868766E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44572527E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94280377E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72914089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02452913E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90036868E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16102724E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.37236561E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20994006E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14300942E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60735235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97245603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38736287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35650255E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95126588E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54167596E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01211866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33055832E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.44820730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84469094E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04973308E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35291535E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72784723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15414820E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19411807E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74623317E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23449668E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16213192E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.51126394E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88174375E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.35008097E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89178526E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88234555E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.20490997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67705333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37185370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18258839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.96621348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71455800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26297704E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87116998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00470111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26698430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89898944E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89168347E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68317969E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22106331E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46531752E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01921002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73236053E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32378229E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.67065795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43712613E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75771370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.93708340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.44169368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14602412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.83370577E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98910725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.48466962E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.74557142E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.28282828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.63247773E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.45934069E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16335598E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05563161E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.03560248E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21537389E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "89": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68359352E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48003275E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84916420E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72744755E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57067417E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60505576E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07242240E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.55813565E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99601918E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98229707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14606236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95939680E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45216934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51987204E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28593072E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18308995E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81287834E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08497970E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44622532E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.69990002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13134472E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65484495E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56773494E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65001922E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11047347E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51205419E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45858682E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01630527E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23624650E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44324706E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05486952E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50729469E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25982069E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.88109482E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03047146E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.98564763E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.17800181E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01754681E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.94533658E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09713519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63434530E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32746941E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.80989159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14270819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50327648E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.64401774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36967784E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99445949E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21393873E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.91019273E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12867857E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42245793E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.80948811E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.42380164E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14268761E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08678409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.68995225E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.01295146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57867423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.26322713E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21373081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09944137E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97631255E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17899678E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55437475E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.17278694E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.51846677E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54273440E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07499834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.99396163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.43990871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20202317E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.81485987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.60681354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.92397641E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.24908020E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "90": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63280759E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47049788E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83729497E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73161427E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.62190496E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63828714E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09078724E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65268361E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04331721E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.21608310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26145509E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01660009E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.73860092E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66725407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36189287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22318481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01925482E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19851466E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50504643E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.04616160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30919411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76858821E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11504365E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95974861E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16691654E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89126780E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53765363E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25639620E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30770492E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66580980E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12775339E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75770918E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35003379E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22330125E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16796771E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.57173372E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44126951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14166159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05620675E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40884241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80011333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40861997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23858411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34563005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61642205E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.19544206E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63010847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.73573168E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41882606E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.01872413E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.37965711E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50254223E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01165304E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.55638938E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.20483780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11758208E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84933138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09693534E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62298216E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.50649312E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.34380868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17302389E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03873358E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28795089E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68072574E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.91955477E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.45144302E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18151514E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.16922860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.22732982E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03067664E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.79256292E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.56809306E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83462683E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.77590281E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12569046E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.67663520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.00609730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.95596880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "91": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.66558835E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48135667E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88533739E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75415012E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73061041E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68964971E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11487336E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76492741E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09574169E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46222638E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.37806307E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07249762E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00111603E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80277128E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43055991E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25931247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20836058E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30052701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55461442E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33878936E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44781276E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83454311E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.31257720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97560670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57470359E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67492898E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60296683E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43181998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35719412E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81433696E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17489827E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91496340E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40496708E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42485582E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24610178E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89238513E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57977117E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20412860E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08524340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.55073232E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86974363E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44378050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.42972335E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44898812E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65994740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.28151800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61201379E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.46785203E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34352156E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20123396E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.80386231E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63869910E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06416843E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78508938E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31288654E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17184762E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13245950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.24906007E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70515326E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.95737564E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59100975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30124854E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09618255E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.53383444E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68651874E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.60821575E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.46848575E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18643174E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.17934990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.22829424E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.02683771E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.76276880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.56413422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86546279E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.05940727E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29130272E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.81987886E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.59016610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.35524640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.28360070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "92": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58567332E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46346866E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84272821E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74630608E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73343404E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70324667E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12518551E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82590492E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12876744E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.63409395E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46606289E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11736036E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02416744E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92269481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49300143E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29308402E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.39772461E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40437461E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60801412E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.65613070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61032607E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92251634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66571525E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12239117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.78188433E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74633124E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64721605E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.59139735E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40764874E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.97635680E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22880210E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10139856E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47208143E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.67759694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34640901E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03133584E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76571738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29012237E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12685779E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75860809E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97694718E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49746723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.71900837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59611387E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73339868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57251969E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71891286E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.68086464E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40114143E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34172062E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.12851253E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74209786E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10373639E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.95593590E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39300700E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21170183E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.33901881E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35863939E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76346823E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.27673366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.76281816E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39153623E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13869711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66588500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72879486E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72161554E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.54110776E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20999249E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.26986146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.26707393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.04209543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.82552641E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.59753634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.92041146E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.41428678E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.46308548E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02978844E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.56834550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.52001240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.61889450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "93": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61716382E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47379028E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88829883E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76781892E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.83865117E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75372747E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14923799E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93961117E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18254760E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88937467E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58819422E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17645897E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05326471E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06987328E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56829268E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33286329E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60485501E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51701089E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66469232E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99043055E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77658292E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01178364E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01146437E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26556246E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98864981E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81768210E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72927936E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82128029E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47431841E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18094692E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29498933E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32598409E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55179587E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97435304E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46299591E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07982595E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97821020E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38776323E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17391847E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99145663E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09648358E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55625094E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.03219667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75057379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80906604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86171397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82391165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89741831E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45917496E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48242952E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.45297576E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84511015E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14302663E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12504350E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47209359E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25093571E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.54192198E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.46598440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82043157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.58854072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.92977642E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47838278E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17892676E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78242066E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76243170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.79859022E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.64344766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.24363155E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.40486374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.32746977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.06862514E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.94459711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.65065372E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97810814E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.76148872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.62478979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05800991E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.95426610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.65956470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.93353090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "94": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53832140E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45549606E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84108799E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75710963E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82650922E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76019734E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15628339E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98577763E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20884036E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00302041E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66154828E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21428040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07295882E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17329336E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62224084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36251063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.78061227E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61309773E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71225423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.27781165E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91571685E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07337937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.15365411E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22665472E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09440453E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47938124E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74569222E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.90435838E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50278685E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27519019E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32659304E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43460727E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59018322E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.11464559E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51647948E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10120199E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06749309E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42625634E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19046460E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07040441E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13124150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57619488E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.14555379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82626905E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83640633E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87728968E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76122743E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48682793E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34019175E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.62704598E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78628431E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.95075859E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18324861E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.29788742E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55283539E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29095451E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.74871901E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57539017E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87864079E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.90872283E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.10247442E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56833723E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22094256E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91399798E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80250543E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.91224396E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.29775642E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12673104E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.88282525E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.07039864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.92841001E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.15810572E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.17359107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77249803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.84372390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23835622E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08915755E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.13231780E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.74363050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.87695840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "95": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56785612E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46488299E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88179861E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77642887E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.92303605E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80754455E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17926504E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09592423E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26148721E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02820544E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78268970E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27307167E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10194122E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31953084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69697126E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40208246E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99109081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72768860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76955258E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.61841660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08726911E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16261458E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48422326E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35670018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.24167116E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52921412E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82514283E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13230780E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56984967E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48291936E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39418033E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66459987E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67182901E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41773407E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63489847E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15010197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28012346E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52317037E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23679291E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29860021E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24766606E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63370545E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.45209355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.97812765E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90872098E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.14398624E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85269805E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.68477540E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39157727E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77170309E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.11825622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05550089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22295531E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46784712E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63195664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33003830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.95014592E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68154333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93475195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02154070E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.26505992E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65105706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25809857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00817203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82303845E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.93318928E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.49674222E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19288206E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.15947514E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19904075E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.99111605E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.47527120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.32658158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.85559534E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.24462221E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40125807E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11777526E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.10962040E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.88203470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.22852900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "96": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53035294E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45689782E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86623646E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77625243E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.94915314E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82894842E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19250146E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.16868477E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29946564E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04751349E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87987968E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32197211E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12684475E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44899616E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76419920E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43836383E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.19464791E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83939862E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82640323E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.95838814E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26233209E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25251642E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.81675588E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48719412E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.39271333E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58004254E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87797864E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31274356E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62673876E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66621522E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45532907E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87617614E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74775610E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.70135786E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74600535E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19599040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47942842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61380058E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27996290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.51134646E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35576135E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68784464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.74252139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12553744E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97843256E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40330120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94075516E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87988474E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44113983E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.91882103E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.45568714E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16177466E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26315473E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63954817E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71173883E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36938066E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.15262309E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78812013E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99105147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05231910E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42788571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73317909E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29464746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.09686247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84036909E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.94096726E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.70434212E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26183371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.44796270E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.33334011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.05679928E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.80986873E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.49065784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.94093174E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.64434976E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.56036440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15929781E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.78857860E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.06886770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.51389960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "97": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54536965E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46221633E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89226158E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78991079E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02352826E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86774268E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21221394E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26638851E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34740196E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07091310E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99420501E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37813256E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15483515E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59175064E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83755190E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47748966E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.40828207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95617280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88515642E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03090998E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44173878E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34429561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.15300930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61901579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.54806972E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63200499E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95208090E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53684375E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69450941E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87993389E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52570615E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11755360E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83381550E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02104683E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87057417E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24717775E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.70073903E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71408318E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32767281E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.74512247E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47442814E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74650458E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.05504694E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28026706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05096780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66785439E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03006328E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.08815552E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49280983E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06805433E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.79737916E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26910079E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30363468E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.81197593E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79167515E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40871722E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.35472800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.89431336E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04706806E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08292439E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.58921149E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81372126E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33004091E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.17601711E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85236482E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.92636720E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.91769159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33261776E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.74404394E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.47123577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12436300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01556629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.66217654E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.02776822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.04257797E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.71613275E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21012862E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.74230990E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.20863110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.80329350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "98": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50763308E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45375870E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87308776E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78767368E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03958932E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88470322E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22358701E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33158138E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38238146E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08903101E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08655019E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42499437E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17889396E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71794041E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90337618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51324526E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61404803E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06963473E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94344566E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06586383E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.62500056E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43707757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.49406082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75250727E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70871528E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68542697E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00367137E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.71991722E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75342956E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07240956E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59051755E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.34315193E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91502332E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.32434668E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98899553E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29582199E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.91071105E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80897289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37263227E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96545810E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58583404E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80227851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.35359706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43125242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12132183E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.92702351E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11673349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29381833E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54283592E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22076957E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01464926E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37849991E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34479384E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.98689477E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87260695E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44847302E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.55866508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.00131876E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10346155E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11371617E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75107536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89383534E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36490985E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.24935070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86084511E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.89694986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.13548293E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40479090E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00457697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.61177262E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19329067E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05095907E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.83923938E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.11580999E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.43996897E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.86937905E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24964153E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.56869110E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.36324200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.09422550E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "99": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50901499E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45530426E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88557127E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79609361E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.09318104E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91533016E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24012379E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41686625E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42536963E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11041373E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19253841E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47768550E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20547114E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85534195E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97440537E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55138467E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82974858E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18825772E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00369734E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10194510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81221102E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53180927E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84057927E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88806476E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.87554102E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74059928E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07175264E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93815224E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82139191E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29083682E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66336677E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.59511629E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00529013E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66004696E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11949461E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34918890E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.14010808E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.91228482E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42151753E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.20389761E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70631797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86199320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.67165459E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58902591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19440885E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19293706E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20541501E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.51685039E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59534679E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.37563555E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04999190E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48896376E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38623724E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.16255099E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.95369498E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48822339E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.76224677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10798230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15963658E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14438661E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.91192057E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97278447E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39893646E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.31532151E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86542475E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.85234430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.35643770E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47791737E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03511896E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.75397318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26304832E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08685478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.01996824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20455009E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.83568793E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.02019204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29419877E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.42381890E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.51441680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.37041350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "100": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.45915305E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44339800E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85347956E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78860806E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08755301E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92362567E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24815175E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46933983E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45551170E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12666940E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27761035E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52165355E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22838467E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97746179E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03848770E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58632934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03785021E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30375313E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06345481E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13787359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.00343270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62776403E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.19403898E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02613148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.04784912E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79722612E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11657631E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.11278126E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87977157E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48598078E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73007321E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82962870E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09020927E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.97786003E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24337957E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39985966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35762985E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01000354E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46758557E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.42876530E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81956278E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91887139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.97574520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74281672E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26524325E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.45409533E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29176168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.73735597E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64622153E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.53399957E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08608602E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.60153578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42837416E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.34077559E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03582887E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52842609E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96785065E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21555932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21623794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17525394E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.07327830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05133350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43245735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37500123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86630213E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.79249087E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.57978439E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.55173865E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06591954E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.89731409E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33336456E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12309300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.20332388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29373218E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.22945904E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.16876554E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.34127661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.40868700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.66593010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.63965270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "101": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46008064E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44455366E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86315961E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79538873E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13285663E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95048686E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26307126E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54788153E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49574957E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14693418E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37902284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57245101E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25420547E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11244501E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10864895E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62420167E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.25545695E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42408416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12532159E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17492885E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19940205E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72611557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55527112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16732341E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22736273E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85589342E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18435822E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.33654621E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95073147E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71701332E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80783535E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10025956E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18751013E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.33995648E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38380561E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45702092E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60197307E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11941983E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51912518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.67886117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94548215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98117853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03067870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90602302E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34010627E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72569344E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38132375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.97828498E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70023934E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.69495180E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12271262E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.71548952E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47091176E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.52021119E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.11832383E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56871661E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.17352518E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32299560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27271888E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20603494E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.23374274E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12881499E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46518511E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42707692E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86317213E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71726908E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.80592272E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.62638274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09702900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.04199638E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40431793E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15969320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.38930495E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38355037E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.62286129E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.31565865E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40087170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.25638570E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.81826720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.92219890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "102": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46077619E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44554652E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87171655E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80151310E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.17489493E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97596832E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27748856E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.62480983E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53554187E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16709746E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.48022559E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62314900E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27994132E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.24664451E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17821302E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66161723E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47522410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54602178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18784723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21248371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39933134E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82624233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.92550863E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.31197202E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41336822E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91631469E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.25228234E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.56396785E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02348186E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.95535703E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88841323E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.38152695E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28880772E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.71703503E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52986230E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51633208E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.85477738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23229068E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57215807E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93542187E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07436948E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04488324E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06448184E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07229376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41607473E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.00148063E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47188076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.23102986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75530113E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.85901765E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15998222E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83116631E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51397294E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.70134109E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20137851E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60917951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.37963732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.43046322E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.32917152E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23677488E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.39359936E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20538632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49719399E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.47179038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85612723E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.62708341E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.03337254E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.70135676E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12823652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.18702872E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47540478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19637949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.57627117E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47330443E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00132207E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.46037817E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45588473E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.04917430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.97333640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.21963090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "103": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43699890E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44020072E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85991661E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80080629E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.19461112E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99493541E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29051215E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70196243E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57821098E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18976590E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59828625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68409559E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31154158E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41517374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26742912E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70992382E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.74020793E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69284315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26706447E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25904221E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.66529533E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97468900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06383592E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75294239E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.35109919E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64051302E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34576833E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89924820E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13467737E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33012515E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01831613E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.84578641E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45997708E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36950605E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78875864E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62408140E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.32618795E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44911664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67807872E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.45093885E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34166793E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17141929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13171788E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37906798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57336587E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69757443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81545884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.32189861E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05056037E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.02204493E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19695688E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94560014E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55645024E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.87956925E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.28294639E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64884753E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.58141261E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.53540107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38407805E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26647432E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.54552016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.27588657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52497371E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.47029960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82594708E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43530699E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.66564801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.91077004E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21752042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.61094491E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.69084530E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30950326E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.19059819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79564969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16250483E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19133344E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52542077E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.66240340E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.20998790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.16870910E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "104": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43776608E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44112314E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86780367E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80660109E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23637052E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02144579E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30614515E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78823343E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62410875E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21358422E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72036231E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74633423E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34348495E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.58373577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35613787E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75784000E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.00473702E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83954721E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34553142E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30539546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92450208E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12046322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13245906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15527786E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09775767E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20892655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42530284E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19326116E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23363541E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66668479E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13560768E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26609116E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61497270E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.95895657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02149447E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72024978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.74341517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63918740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77154011E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.93304316E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60633066E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31437267E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21213084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81687564E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81325755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10116802E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53081283E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41490828E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90381015E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.36244094E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.11206481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71167072E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08159684E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.80816280E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29844293E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14964130E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.91677650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04593460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58135035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.07766975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02028359E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86433253E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.94567782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43406338E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.47158437E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05966202E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.54997022E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49176136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.92095969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37084259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67222944E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.23133872E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.90180233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73765689E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.02848600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25986687E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.74287040E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.44852960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "105": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38980770E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42917273E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83246033E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79660736E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.21725563E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02410234E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31235182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83701838E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65497953E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23131909E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81762169E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79841418E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37129782E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73599825E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43765231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80234159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26368064E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98453108E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42367263E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35183359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18216293E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26689294E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20134888E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54625552E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25128690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73134170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49981840E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47528186E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32977141E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.99648640E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25122614E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.68198699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76864629E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05433868E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25174078E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81499925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.15239545E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82439878E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86634039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.38405940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.83279431E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42157649E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26816737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07937011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94868590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16339869E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81685127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47519910E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10240428E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.52006067E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.47295248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82523166E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12455257E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.99149705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38366061E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19155392E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13198163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.15871218E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64192841E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.40642943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19705777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96202621E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.44952529E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71084979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.64658582E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16487050E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89649759E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63907961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.62191215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.73375839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86568774E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.30608432E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.48750926E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.04739355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.59070815E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00657920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00560300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.68889750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "106": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35457160E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42038613E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80629769E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78908860E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20276833E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02628125E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31733990E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87641358E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67999728E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24569500E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89639608E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84064438E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39408614E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.86372381E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50703666E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84095366E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.50202800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12018661E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49918732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39704918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44093845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41440849E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27145724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93279077E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40064516E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23186239E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56469499E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.73702922E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42137713E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31583532E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36438412E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.09199260E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92084499E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11234936E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48023335E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90880752E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.55585695E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00627339E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94642941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.76826570E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02641205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51584550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31820471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32330727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07671723E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22495208E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09437648E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53447241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26939117E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68622454E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.85285568E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.94450425E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16956213E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18322372E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47264343E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23527553E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.35641910E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.27647519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70521073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.75096102E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38292571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06578323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.01155450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99021849E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.77565490E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26397633E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.22192761E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77684551E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.27686079E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.07237915E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.04611174E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03043416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.03521945E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33988257E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00838060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.70829815E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20361670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.93110680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "107": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35507027E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42096203E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81119463E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79281032E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23213634E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04642763E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33004164E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95005647E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72065853E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26736090E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.00960469E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89920235E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42453388E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02677528E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59352881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88793509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.77078898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27077928E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58001806E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44518524E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70497740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56714132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34341918E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32066161E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54841657E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72318509E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64627625E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.03618643E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52304015E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66526409E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48719085E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.53449741E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08438764E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17442208E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72355251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00813869E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.98047401E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19645910E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03619418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01941261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23942117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61849525E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37230328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58445536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21433762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29071547E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.38665291E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60340451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43052815E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85490615E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.23775108E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06498329E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21487971E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37570307E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56174264E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27896664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58024740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39371084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76820146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.09330790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56779144E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16975636E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.58625839E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26583722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08697774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35744006E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.52790127E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90587875E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.88963896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.38843044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21435319E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12322035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.54647777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.61453156E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14948649E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.36150229E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36277810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.17537290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "108": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33210010E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41526206E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79441748E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78820631E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22672032E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05154593E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33613628E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99445618E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74827170E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28314375E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09598308E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94541486E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44932608E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16455784E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66801926E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92898651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00227500E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41433178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65930879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49266600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.97071717E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72158524E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41716364E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70970687E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69594216E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21167181E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71337198E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.30602203E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61823444E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99987855E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60655850E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96907275E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24613275E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23607445E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96560647E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10687823E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.40159925E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38444101E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12451766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06126490E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44838498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71984570E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42584595E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.84538912E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35280046E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35754972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.67905360E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67224568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57730903E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02425855E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.62336266E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18530793E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25998307E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56666523E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64988073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32208375E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.80055277E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.50876210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82999098E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.42795824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.74849296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27204972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.16088456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.53675418E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19394440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.44773097E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.82252239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.02968175E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.47684794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.69054316E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37503048E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21164248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.03493324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.87795003E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28540448E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.98520298E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54169620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.42191150E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "109": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30946466E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40958618E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77725442E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78319576E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.21848951E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05512018E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34150131E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03571988E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77461638E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29843098E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18052032E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99097572E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47389632E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30184287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74243429E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96994383E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02771070E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55996795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73958264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54087461E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23972718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87921182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49315669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10375819E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84449475E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70330956E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77896114E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.57459048E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71399469E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.33909475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72825992E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.41395171E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41214757E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29942595E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21417831E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20804024E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.83155630E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57554506E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21385916E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10347260E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65850840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82195018E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47977289E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10928205E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49348457E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42576968E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97363744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74151237E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71266594E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19397533E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00089931E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30526243E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30479138E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75576267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73689519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36454366E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.01687889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.62134659E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89041566E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.75385232E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.92434588E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37204884E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.73125526E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80314345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29894519E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53635569E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.11089914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15051418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00493488E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.98446248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53125927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29750686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.51008289E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.13496288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41848229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.59300515E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70384250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.67093060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "110": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33254315E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41589924E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79984265E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79245430E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26443215E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07977028E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35526095E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11112696E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81515762E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31972344E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29076929E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04764578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50329578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46015677E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82673311E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01574261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05483617E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71388497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82377597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59115206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51524990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04203523E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57169759E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.50574382E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99521117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20328724E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86994832E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.90251766E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82590439E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72660471E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86537548E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.91044553E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59609860E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36919379E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48627065E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31805338E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02959628E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78053027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30900464E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14810012E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87943436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92883374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53597727E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38334820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63980578E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49634610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27534756E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81325893E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84149215E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.36384173E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03941689E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.42470712E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34925607E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.94280714E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82271035E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40631592E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.22912115E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.73143784E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94947650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00710469E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.09530918E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46947963E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02954652E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06534167E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40240866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62439207E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.39654991E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26988553E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06142996E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.27395571E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.68506385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38196370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.97793069E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.38861178E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55019791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.19294980E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86550310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.92259820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "111": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32129985E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41313127E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79173426E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79031949E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26504373E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08591303E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36137419E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15480604E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84244877E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33542060E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.37700107E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09376409E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52797262E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59735023E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90090348E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05628673E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08046938E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86189612E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90654036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64086385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79291309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20681808E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65252531E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91412153E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14855732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71361327E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94026210E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01874223E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92796108E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.09043009E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99664131E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03922974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77635232E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43800005E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75554568E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42701799E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07554532E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98286614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40259765E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19201098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09665041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03455711E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59167038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65717326E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78661608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56768753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57714537E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88398480E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95912697E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.53434322E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07800186E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54400666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39351868E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.12841443E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90761753E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44754272E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.43800115E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83939580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00734834E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03804576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.26181353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56430406E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08523916E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32348453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50448884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71244896E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.68148977E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38867118E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11758322E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.56118854E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.83760384E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.46567359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.44198729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64072029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.68146897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.79010700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.05238710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.17706920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "112": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27628405E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40133708E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75183492E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77517500E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20408639E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06113824E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35162724E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11720022E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82791692E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32972816E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35518513E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08595607E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52608657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61051354E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91261106E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06219260E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09447393E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95888420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97041859E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68158795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.06273324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36715451E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73867578E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.34970450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29903056E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22959771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98896980E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04256771E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01899505E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.42691288E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12091660E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08559324E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95177966E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50548547E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.02084729E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53455319E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12087285E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18211737E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49451329E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23518192E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31016949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13913337E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64685833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93074448E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93382507E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63973946E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87916658E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95385072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06608715E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.70596694E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11676755E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66352513E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43772105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.31321294E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99192247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48838236E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64440098E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94573523E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06431961E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06838268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42477673E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65674353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14018455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.57792462E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60543325E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.80084798E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.96677839E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50733614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17361771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.84736975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98953279E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54900287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.90406620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89215028E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81266297E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.38615637E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.24177900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.43450830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "113": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26564207E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39866817E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74422515E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77365178E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.21158475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07295461E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36171416E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18619002E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87076767E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35459317E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49347521E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16091577E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56640294E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82892664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03205829E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12975482E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13031738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15748622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08168254E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74596207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.40649632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.56996553E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83861196E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93962268E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57722155E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51258475E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22950772E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14195506E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38548142E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07780748E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62617690E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27813994E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70083150E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80335129E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23642488E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04722041E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34609780E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.21238577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97454758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44471995E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.28158737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55970861E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84700824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78221533E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36436593E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80752239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.63569979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23571621E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49490045E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.11290116E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66859908E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39220281E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08768842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.08703746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28499285E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13339353E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10374338E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.81724949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06216577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63711945E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.52644077E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33515906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10433759E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.58005214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.99541705E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49209297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29101515E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.29840881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.79894990E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.33836896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.05824687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.02169215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.96237638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.75970910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.14831388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.42948503E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03019500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "114": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25502639E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39595194E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73540204E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77067315E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20542815E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07470753E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36535866E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21737444E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89220455E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36768679E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56867354E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20255515E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58931895E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96091240E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10483800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16908478E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15644477E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.31209060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17161143E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80024256E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73072229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76363329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93814058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.54669754E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86374137E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07521373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28248145E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16539717E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47376142E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11041385E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74684888E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32320817E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87108090E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86846501E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.48927959E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14764942E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38726175E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.38739584E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05193815E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48004065E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45062744E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63892502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88902011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.97228497E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46826548E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85130238E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.85413909E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18861843E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09423019E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46077358E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74711158E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63264536E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17573481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.45254444E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45092382E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21401105E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14479054E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.03368457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17718763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70024067E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87166791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.52530825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.20707128E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01493811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.29553469E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61789962E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35864531E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.51803345E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89101027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.77131238E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.27786264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13716351E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05894354E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.09611076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.32511881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.31317463E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38837200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "115": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27716144E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40183307E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75524325E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77809769E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23967370E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09280864E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37600124E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28046699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92903043E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38838077E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68134579E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26243412E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62105900E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13470672E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.19940640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22127358E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18708746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.48872165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27179656E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85990233E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.06637472E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96566370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04003435E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01772027E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16405429E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20026752E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34918164E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19496194E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58591482E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15223503E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90329429E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38232687E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09730225E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95623370E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.83558761E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28762007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44574490E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64103144E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16618543E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53305357E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.70867381E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76643092E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95553550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.30698171E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65188068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93992868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36628356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41153965E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02069403E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.89160022E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84439609E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.93073054E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28492725E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.90628169E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.65712715E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31443508E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19601763E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.30468393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32158051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.77974545E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.31155755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.76967207E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34357067E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08804086E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66643181E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76404306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42553854E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.73475164E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98163904E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.19700000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.49363423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25058281E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12049794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.42672660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49940949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01858987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79120220E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "116": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23395635E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39042308E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71663685E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76377617E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18589017E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07335338E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36970937E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26396175E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92750025E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39042228E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70288368E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27766374E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63087763E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20370801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24028714E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24257275E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20648388E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.61447606E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35432929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91090728E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.37631555E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15488955E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14108026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08035187E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47368104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32716064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.41478101E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22444768E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69876288E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19459836E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06258118E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44274530E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32907112E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04626398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19071685E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43086834E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50538611E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89856467E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28166812E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58651064E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.96804421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89427462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02214028E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.64080707E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.83575422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02868007E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89231478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66801723E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.97707589E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.35091124E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94803968E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.24777184E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40079648E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03866895E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.87503404E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42041207E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24999999E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58998208E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.47378902E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86358336E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.77729485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.02893584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.48933959E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16591219E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.05800523E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91490581E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49214833E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.95004732E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07147264E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.61846084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.70708711E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.36274420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18132991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.75382195E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67230702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10531308E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.18133820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "117": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25589660E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39622807E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73580777E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77055155E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.21438834E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08728868E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37769819E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.31102557E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95481902E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40571584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.78665037E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32284017E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65532803E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.34251093E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.31714084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28450220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23329160E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77383376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44769397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96687234E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.71913239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35865868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24658072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14580781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79419796E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45755955E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.50079474E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25887001E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82527515E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24107592E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23497767E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50750108E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.57553472E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14132811E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.56301977E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57984955E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56686094E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16151398E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39848795E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64014961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22626489E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02034342E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08756913E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96460376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01432190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11448402E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.40561230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93186959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92968449E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83574648E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05729720E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58130697E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52237884E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08894908E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.10258847E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53088086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30617020E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88645118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63215132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95080977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02633964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.29989718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64229268E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24755275E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46674430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07169726E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55874574E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.16482517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16090441E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00375884E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.91918626E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47415547E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24172009E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.07887380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84454763E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19184727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.56439300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "118": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24543434E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39342753E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72586931E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76655977E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20004310E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08342403E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37804335E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32550050E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96875536E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41569741E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84986815E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36021593E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67684236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47152669E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39087321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32521218E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25971789E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.93405284E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54206791E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02418111E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00527536E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56202638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35158724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21100065E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12227893E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59031719E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56226785E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28729373E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93590515E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28310998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39439154E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56830707E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.80943914E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23217925E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92013696E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72283531E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62573603E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.41242740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50951511E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69104303E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47054959E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13905180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14933937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02679675E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18229819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19602479E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89384744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19468837E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.86706817E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34050542E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17092956E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.92742965E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64817876E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14081718E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.33672197E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64430103E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36373690E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.18993191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.79447993E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04023819E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07633686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.57883329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.80009817E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33179571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.88745938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23304938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62557486E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.37987566E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25026762E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04559255E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.13069042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58520536E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30188065E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.40298978E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.01668444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27846072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.94295680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-cv3z.1.element.json b/basis_set_exchange/data/dyall/dyall-cv3z.1.element.json new file mode 100644 index 00000000..7cb6edf7 --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-cv3z.1.element.json @@ -0,0 +1,600 @@ +{ + "molssi_bse_schema": { + "schema_type": "element", + "schema_version": "0.1" + }, + "name": "dyall-cv3z", + "description": "Dyall's core-valence 3-zeta primitive basis set", + "elements": { + "1": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "2": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "3": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "4": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "5": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "6": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "7": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "8": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "9": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "10": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "11": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "12": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "13": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "14": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "15": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "16": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "17": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "18": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "19": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "20": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "21": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "22": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "23": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "24": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "25": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "26": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "27": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "28": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "29": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "30": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "31": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "32": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "33": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "34": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "35": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "36": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "37": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "38": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "39": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "40": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "41": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "42": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "43": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "44": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "45": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "46": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "47": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "48": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "49": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "50": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "51": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "52": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "53": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "54": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "55": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "56": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "57": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "58": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "59": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "60": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "61": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "62": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "63": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "64": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "65": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "66": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "67": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "68": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "69": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "70": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "71": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "72": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "73": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "74": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "75": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "76": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "77": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "78": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "79": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "80": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "81": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "82": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "83": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "84": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "85": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "86": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "87": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "88": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "89": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "90": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "91": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "92": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "93": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "94": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "95": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "96": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "97": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "98": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "99": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "100": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "101": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "102": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "103": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "104": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "105": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "106": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "107": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "108": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "109": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "110": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "111": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "112": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "113": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "114": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "115": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "116": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "117": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + }, + "118": { + "components": [ + "dyall/dyall-cv3z.1.json" + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-cv3z.1.json b/basis_set_exchange/data/dyall/dyall-cv3z.1.json new file mode 100644 index 00000000..29f6ce93 --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-cv3z.1.json @@ -0,0 +1,130205 @@ +{ + "molssi_bse_schema": { + "schema_type": "component", + "schema_version": "0.1" + }, + "description": "Dyall's core-valence 3-zeta primitive basis set", + "data_source": "Data from https://zenodo.org/records/7574629", + "elements": { + "1": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.01657212E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34649031E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05473364E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62453493E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80494579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00896460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91394822E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60426029E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71243724E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23551545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93467565E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.72511884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "2": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40072588E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59090341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.16292739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30932047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51215959E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67601960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00126018E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84736372E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49139365E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12853138E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43108867E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95612906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "3": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06973312E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54595264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02740411E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89586956E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41196495E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38684376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31505511E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39211605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29034885E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.97331831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.34381553E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55490423E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46707438E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06434589E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99431320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67746425E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42782545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77535311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77240546E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.30116131E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22478016E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45878375E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.87090703E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04231736E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "4": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83205813E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.57491851E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93049738E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42828734E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76151050E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.33348080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46053217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01303767E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35324355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93804832E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71465714E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47833689E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01026182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13322544E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09713585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.64448228E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99814660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04950925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04947150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65880377E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96137454E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92979655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04771923E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.71919015E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94872657E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.66942695E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "5": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93788253E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30256081E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91729099E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.17438240E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64585452E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49405228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68250561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51497839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52312620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92666937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34129377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40073325E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76036838E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03056262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97655497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64212537E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13895437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82762281E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15187932E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92743428E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21335758E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96664366E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43921928E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.35833271E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92979801E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.29163721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "6": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25637995E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81272742E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03580313E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12628251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63455675E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30098662E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03486990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06663353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.87806696E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96889579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81289482E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57728142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62134214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03834234E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04771299E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46395646E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.74747276E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78836296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09850897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.47609037E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82091560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22603733E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10518334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03556881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05919990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.21638135E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "7": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71695092E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44953145E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41696657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50480183E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83958367E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72764044E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67046428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73213278E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17083422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.20267195E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33614567E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02717148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60512780E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42291190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46219090E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43328856E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08245932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92374865E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55057907E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29000400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52351112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78127520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89132755E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56793871E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56143189E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02136377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "8": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31109552E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25648035E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.14764591E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97541170E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32914299E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25272175E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67708707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54739807E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51764440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71690551E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97334060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18562343E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74294339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86470896E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94301648E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55312788E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43777974E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23568979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07194422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37152324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32239815E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26399016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.82035263E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23798726E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.43284985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40715844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "9": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05576627E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24923032E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25137786E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54260776E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11301689E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87846079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10594336E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51297401E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92801206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51146147E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73474292E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51152861E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04849945E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36723371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49295846E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82791101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84180600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.72731462E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66363529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07244326E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21897646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58072874E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.87053785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04464288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.66404926E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88500537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "10": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96947614E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44443048E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17525108E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21089589E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02006148E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60686567E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38211221E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.62889087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40137989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05814807E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61947110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88234675E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52704176E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93186695E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11489673E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26198672E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29555900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.40148544E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32657461E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33518856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21429760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92869104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.04818445E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98165568E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12359377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47554062E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "11": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12411711E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48138260E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11575176E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35793261E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61959305E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16853842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48747556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41535588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04056479E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68077529E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22022418E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.45495305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37672722E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01638181E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.31653097E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69635066E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66647730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10197855E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55060604E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22534651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20882492E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83480956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41479852E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.70193619E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37169137E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.79354668E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91848733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92778800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.48418680E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61912121E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46652179E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.36795394E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.38236614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54959574E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34901424E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.23794995E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.33464785E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.20690104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "12": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86922638E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40747551E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98080562E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32013324E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10055031E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42520656E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39199655E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18035656E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29536723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13567324E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90560039E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91564247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59243635E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55413972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67539997E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09706204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43688667E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65510457E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97564382E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55223446E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73140712E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48700666E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03026007E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.24047312E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48271870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47685148E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13314800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16669594E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83267162E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93974241E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66112074E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.79257217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.14977385E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10791979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.03864334E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06557142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28034492E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.32965821E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02328368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.41845761E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "13": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61331085E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31186418E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.76439892E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77512990E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47170610E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89046782E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.11885559E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86814317E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21953792E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41539831E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49055108E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16165181E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.67403256E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07092561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.11699442E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42262347E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12347602E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81455638E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03998302E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35924557E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45497969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76112956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12518394E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.80517072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07472125E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.86303251E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01277072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11022663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01002471E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87877919E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72517742E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.41228477E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25083805E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08309330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.69930629E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25654942E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.77036599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "14": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41530473E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27842169E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.65273727E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25314457E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90330646E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37345620E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90109368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57379246E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51523760E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71186777E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07892478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43205781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80409952E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61953632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17570346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52952454E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61561381E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79314281E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30727960E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93795668E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.25086611E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42442725E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39753549E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99735430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61737833E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13832598E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99407219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50758517E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51126608E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10146928E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.42011080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25666735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61743175E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53325537E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.00102549E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50135220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.21961182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "15": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30723404E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34914798E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07248938E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77250805E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.44519213E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88995955E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07964097E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32091047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82719576E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07580104E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69682616E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71640797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01102009E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20986282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46219083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74738515E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14751786E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94037694E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59142117E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54310170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11130593E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10893367E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67788335E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22366817E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17958502E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40517960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15448646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96730743E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.20155791E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33740093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19117536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61538131E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22607394E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07120534E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.42680845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89204486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.24814897E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "16": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31068821E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.54988506E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30311985E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34595703E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01354908E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45272873E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28508432E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12718005E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16258439E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53769447E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35767940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02044442E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30841798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84720189E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77267984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07267230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72231955E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12672292E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87471736E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13696340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29246766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77090540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94765599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.39618076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71664457E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66216311E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.36076883E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45183674E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99840640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59670901E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.04258778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01345238E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.03950405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67732297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.97013550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.35159094E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.54654445E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "17": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40636873E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.87149930E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55657222E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97349378E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19769041E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06326246E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50714473E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99586549E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52292903E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11047251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06486231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34566619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70034857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53336757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10778651E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.50704231E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34305711E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37854423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15713735E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72030818E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46893921E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41173139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20711766E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.51214405E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22202630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89907772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55970929E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94516913E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08634057E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88082047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.97778906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44997148E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00411042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34213688E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16287692E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.87488526E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.10734313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "18": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56667124E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29804024E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83141376E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65367591E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39689020E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72221320E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74628020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.92940001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90944261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27828896E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82130329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69343388E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11938854E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27141112E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46860868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.05354406E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01192116E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65005734E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45656966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.33026274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65209498E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07339194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47361689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06493613E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72977240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12561764E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.74705661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44540373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27909136E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19210701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.00414150E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92807512E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22407920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06250457E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.34145959E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.47364833E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.99485367E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "19": { + "references": [ + "dyall2009a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70979584E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59285638E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22263806E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83397593E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46481197E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83091338E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71250139E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64371933E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10383490E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83677665E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20624552E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04111682E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05274919E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48524676E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12810253E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51016642E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70553708E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12056868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.21390260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33810977E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20407410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08176995E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02297136E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12857354E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53330901E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85208145E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46425069E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96694702E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.96411185E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48832432E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60447892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.57563158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63397107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70328640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.09872309E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82073162E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77422040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.13683690E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18690952E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25843551E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02275849E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59819840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.15536910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56924634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.41992101E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83454480E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.72026651E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49672840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13400174E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.83838990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "20": { + "references": [ + "dyall2009a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24633537E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42837862E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.00751943E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29634536E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84747793E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29259803E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39456034E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30105314E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37605488E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02118720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74354211E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29314154E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26431785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07018767E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39562991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88127796E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40174368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50403325E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26763672E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36765143E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68945740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33226125E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20740520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01269248E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18730238E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25751342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58388428E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35412235E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.49455244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14963927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90867082E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02909007E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34940922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06108027E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.98365115E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.88868809E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39840754E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20321460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27043196E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00808590E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73705919E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96064660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.32840960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97367339E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.97722478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16309249E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25122551E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70179250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38907420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.95815720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.48691880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "21": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45447409E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82136942E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91303344E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53975100E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59098442E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54409491E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31956547E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66621673E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52917975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69607626E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05317969E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44000837E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98040060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42478708E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56321259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74415691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84447242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71293970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.26954122E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80469628E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65621219E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83345359E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24910074E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41050190E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63613429E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.61329362E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70627419E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08756329E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74280229E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17982037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03193984E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97968369E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36835634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14814186E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61293764E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73740335E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04592373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44015183E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89251896E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.15663262E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.70653467E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.99202020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.05339500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74691673E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.53699933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16875746E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27887870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.83821951E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17414995E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78537449E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.45197328E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73647022E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.56760335E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.84207993E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.83909460E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "22": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72762353E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32300748E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10634454E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84791572E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.52846549E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85996046E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04761523E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11910047E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71644571E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.50666879E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41824047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61019183E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79716207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82332700E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74866163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69401662E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32841888E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94244223E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36871023E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.29893642E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08977354E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32478677E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43587229E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67794424E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08215829E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81010886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11221712E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24587220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42005706E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48878879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17878346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69661782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71663309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31760469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41979719E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10760198E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16284658E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.85072666E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03416009E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15545281E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41889182E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27448013E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.22392958E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27924283E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.99812579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.27648098E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74912833E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63265865E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40747200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63941223E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.01613785E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.83850370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.25222317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.02158221E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "23": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95584820E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76905464E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21166351E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13532190E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41379976E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16079568E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15830978E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.55412899E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89713594E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29339259E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77501696E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77772871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.60695704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22138282E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93465769E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.64862019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81647846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17422583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04694822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79289448E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20590184E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77555229E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60722434E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97917644E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57648787E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01184487E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55190281E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41625098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.14558781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81869200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33522967E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.45871962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08572256E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49640435E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26506454E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49137031E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27833592E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24496899E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16608224E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37270489E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06303942E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52221188E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.28078566E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75849341E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21954483E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.25350849E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15843824E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.16813754E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.65587127E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21852717E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.63713985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43236226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.19043852E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.02483041E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "24": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23722214E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30322385E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33715295E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47578027E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04552789E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51159501E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28638411E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05433598E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10386443E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.18979484E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17991468E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96701639E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51682025E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66534901E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14102942E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07019215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34888299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42049718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16329541E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30805738E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31924422E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21860481E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77480355E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31772578E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12398785E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15479981E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02788701E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59951488E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92236071E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17071694E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50178036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26823058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47657993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68494920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.15083842E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89008038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39407960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63084528E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29182057E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58607501E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.69480172E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76449487E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.31584809E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22721194E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43324988E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.19533238E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54849078E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.61006770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.02407452E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72712177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.03969696E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.49342542E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.85507624E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "25": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40822628E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68665059E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43317123E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74463790E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12935387E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79835589E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39243458E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47276433E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27830227E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.95219252E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52696670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13074973E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03141556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06228110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32952349E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16756228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85133651E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65918944E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27593658E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81427725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43108302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.63451933E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93067637E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69702271E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72928121E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31074421E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54230499E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79629268E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.75246441E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54563063E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67874362E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.12651139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88985546E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88362446E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07953117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30504984E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51065134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01100222E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41277178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80163196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.33217964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00846081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.35884857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69908810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64752820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.13343983E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93334661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10151349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.20034194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.24318783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.45251458E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.81531812E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.73114838E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "26": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65104362E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18786587E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55591169E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08643739E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23579719E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16116009E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52585746E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99617655E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49524251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08947152E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95334305E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33040295E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12758740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53304615E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54859654E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27948333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41766282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92075903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39866101E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35533250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54381067E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.06043670E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08896826E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12118421E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.39799601E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48076924E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09794220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00744729E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63895351E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94461240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86659529E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.03556039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32649576E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09293167E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00538481E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73757219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62856134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.38760048E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52994557E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02219425E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.98343248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25736942E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.42338924E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.18032277E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86534411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.08187360E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.31931010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24089509E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.49627044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77682937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.91200390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.15294608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.65024467E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "27": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82208420E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.60689663E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66556157E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40045266E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33492420E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50240882E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65252510E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49736454E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70447802E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18087479E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36842904E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52536934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22187448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99779196E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76719203E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39162442E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98935242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18724669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52371795E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90892247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65899197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48969406E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24642912E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59453363E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13605026E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66600602E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69761164E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23382073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.58468781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36872923E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06576162E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99719354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78728981E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31316779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10744066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18748049E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74786653E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.76104080E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64373645E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24929513E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.65297567E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51294715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05166101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67412190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08822889E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04794544E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.70969286E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38050186E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.80743454E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.33463515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14352792E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.51620257E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.63803944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "28": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09417454E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.15423112E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79983714E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77470371E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45128984E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89825079E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79771162E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.06473127E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93857560E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28212016E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82455518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73820181E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32415198E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49845610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00096535E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51095766E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59353474E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46552824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65392148E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48253345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77577209E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91899313E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40256008E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12190993E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94990484E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86766622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34433298E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47633882E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05929234E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81923359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27674802E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10135094E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27315103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54478781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21436253E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65600768E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86895927E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.13293631E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75481037E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.48391727E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.34357337E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77626216E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16429265E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18245777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31711702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00360891E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10650744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52114902E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.13384571E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.92057615E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30336632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.92463832E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.74680642E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "29": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17836883E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47963329E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89703427E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07242257E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54918932E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24357127E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92770015E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.58342379E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15656545E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37795134E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26241548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94505481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42469346E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99623580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23612341E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63159981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20815728E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75100972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78750651E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07220205E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89582353E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35577026E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55957396E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70798341E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.84614925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08701673E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04103966E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73578742E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16660415E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29694339E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49988133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20860387E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78498450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78821543E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32629877E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.14347547E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99182991E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50327929E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86331229E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72681961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.05733091E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04811922E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28056495E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.70680231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55270735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10495806E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51119083E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66339036E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.63351158E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.50612052E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45696848E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.42224313E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.05555984E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "30": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39435425E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99808344E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03487339E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47424182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67782093E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69008377E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09406092E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.24208227E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43119918E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49765056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80432517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19847238E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54645939E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59114037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51719909E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77583427E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94120643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10274932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95823890E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.88071260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05027372E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96124991E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81012871E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44385455E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96245884E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35714451E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89174535E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05078035E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29636716E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87347840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76896978E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33827563E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.40959874E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08816213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46400045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.73631515E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12917749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.90937835E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97825650E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17340924E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.36732102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.55293077E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49917368E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.72204198E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03683220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33336105E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.55414758E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09361233E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.83197700E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.36242615E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71948900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.03365893E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.09012380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "31": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55445959E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53805914E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19617901E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97356169E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84366401E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28039247E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31796696E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14019784E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80916474E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66331442E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.55624758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55009317E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71490540E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.40892083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91430040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98206909E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.99972969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64904841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24139583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03349674E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70644104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22830759E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23471170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.08808822E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44309931E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65650470E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19291003E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53605376E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90707869E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.60219479E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06184271E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98041541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.77666289E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66475578E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16284487E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62156734E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06986778E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11755278E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99871898E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92523211E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15654755E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.40247675E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87021090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.47094152E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.89826857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76032088E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.66908542E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14030786E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08908959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.53690930E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.10609080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.29394340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.17685060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.73593850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "32": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75343445E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02023082E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39819004E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.61845733E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06356833E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.07305542E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61881785E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03382598E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30984371E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88246484E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.55288416E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01557329E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93598891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46758326E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43298975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24480986E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13104017E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30652312E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57590746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20096394E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44413215E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59544469E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79702298E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07773854E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69205977E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22981657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36598719E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15827086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15833398E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.70507356E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57599349E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23033382E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10288618E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27537145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46478757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11484652E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75937004E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42823716E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23725801E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45122340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30971213E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.98968707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.12546986E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.66244163E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47315611E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03779022E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.94903250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90445404E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38367632E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.71519130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49719050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.66656260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.15897290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.48492330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "33": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84037754E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04741635E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48021737E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.86570276E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14335233E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35442200E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72727398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07892387E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50695885E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97163634E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.97096621E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22025658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04068671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00200794E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72249319E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40440526E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21993854E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81855903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85054141E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35308984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22412844E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95986625E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35217158E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25921678E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95770521E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.83336399E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54573419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.79762466E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41444066E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08218676E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09372511E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48073813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22761324E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88544562E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76954531E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27234366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53033238E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76018660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52968218E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.24946231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54139147E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.87896006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51450329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14965785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37984525E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49289704E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12673049E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78844260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73973970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.94483660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.90802910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22852480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.79380230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.27408280E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "34": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91257405E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08552012E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61077716E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30096950E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29512815E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91241162E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94328145E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16654357E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87830978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13558305E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.72184945E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.57532086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21313616E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08741085E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15373572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62925493E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33734473E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44316383E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17617127E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52559166E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06373017E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35390677E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00275324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44232694E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22428505E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43169807E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72167334E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41701325E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66053736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18875922E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58471891E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71705069E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34466258E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.45923055E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05885736E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42500468E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32247165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10016659E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.85965836E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.99466247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75672026E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.70179219E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87377103E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31862905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.21101127E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90745782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33269967E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74576990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.12553180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12276080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.33897250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50752950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.62749660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.10287110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "35": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15532200E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14812366E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79022382E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.85300079E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47851458E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.56472677E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19006342E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26519798E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29302905E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31783155E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05532345E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96619290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40148562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17991277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61745704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86921977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46201787E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10371231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51941039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70755420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95273831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76751762E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17878343E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62032129E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48207234E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00386082E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88786464E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.99612387E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88874390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28688356E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.03364193E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93184357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45023649E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97509644E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32036019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56522324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10870265E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44061786E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.20998554E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.78600736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98442380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56941673E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25242088E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49677211E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.08866174E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34689761E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55224006E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.77301296E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53829111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25650340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.79044340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.79715170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.61019350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.97130620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "36": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17991323E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17633306E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89878976E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.23363353E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61516067E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.07657147E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39150797E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34834584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65094954E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47770238E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12920507E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31866563E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57438888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26649609E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05799044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09998310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58358314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75114559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86196588E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89263435E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88241566E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19462923E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36130944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79252643E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73044757E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.54946010E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04447512E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53632486E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09979671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37692414E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44218662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12578540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54446498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43056540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55041350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68783305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86733279E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77532298E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05671028E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.61271060E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22127617E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.46930426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64474259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68131637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.99833116E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80352489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78113476E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.84543548E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96354748E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39583200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.26275930E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09744120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.74331150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.87951440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "37": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08767232E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83371171E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18347777E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62874001E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58642951E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05499075E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03135053E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30729427E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42545267E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.39369988E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97082409E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42407022E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01511850E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54004530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82344036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.52282397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87014426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58793768E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37806594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99803200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67443344E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91288086E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29378663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03569873E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88410026E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70047420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76439080E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89943874E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01896362E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81779748E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66060143E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29430683E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85631990E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37338110E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51645406E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41072625E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11946882E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41413833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69585869E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35485131E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.83574530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45397456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73752459E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.17333391E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72813018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65446097E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.51815390E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36553789E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93866375E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.98776019E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45065186E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17222527E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58380415E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.89820275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23604465E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59392728E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.00075065E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.01623134E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99203874E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.40111233E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.76509439E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36639330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.43202372E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54186010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.76050800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.13612248E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.95268640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.83284100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "38": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.26818774E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93389725E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61837344E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80350379E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29267831E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34628991E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26830327E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84858404E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66995286E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53303961E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51698704E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69279425E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.37083181E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23994238E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19183724E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14698926E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83858288E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11458074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66434325E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61012132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51896303E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35365202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08128826E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49446470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64687364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30234500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23524259E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68625194E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78092267E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.61401273E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.80589089E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53828331E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.52410055E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59439007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35525531E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76177253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27773118E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16757439E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07052085E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54469033E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.90871380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06644462E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09840565E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02995272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94556182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33586520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28758348E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69974893E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60536749E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64614044E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.71488437E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78633889E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.77953698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.65413423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80392165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.09551307E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59619753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30127783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10308753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59122541E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75087430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.68010638E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.69433630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.28251710E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.56145306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64628200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22699972E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.08302320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "39": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43512088E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01722594E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99876484E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96410954E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95741170E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62176475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04393466E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36307122E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90358422E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62642841E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04320047E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95201691E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.66807895E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89617820E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52648315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31716661E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69113704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56930851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90767701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.97363639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18773089E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70078664E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25681387E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46061267E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11633975E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.07281519E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50106792E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10399420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40608328E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.94368033E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77875807E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17377730E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80655136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15150456E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09206909E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42549780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86648635E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41538248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72092932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81245276E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53338641E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34584416E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15966851E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61795988E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66255173E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53703844E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14874117E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77366098E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52810453E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38369680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66181548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.22286587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38199457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66119505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.29183202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.14141669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02271969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.06638979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81152694E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52033281E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.61996761E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.85358520E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.83037570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11534430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98128970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.34356880E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.11452300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.18725380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.98465900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.61553000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "40": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41913036E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01961442E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01923777E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97382525E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.00801456E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64868269E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05785673E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43304941E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93797505E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79467206E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12673613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99497598E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.90117836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02877801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60405961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36370107E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.97803346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74041157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01030682E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05880331E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55744188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92544032E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39549746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18479454E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48296652E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04756548E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05773642E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32140536E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27496342E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.19159130E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04110973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87561805E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03330436E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99478042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43932198E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57989471E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.59322894E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77228871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90219280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.75195592E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02487300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60993012E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30273782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34720069E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00632478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07105157E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56921369E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91991897E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64333519E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.70169718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78002413E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.73282584E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.62162010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78020947E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.90076960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46389304E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19642932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.96447971E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31951484E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78369564E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.79901154E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.01880610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.40037390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25470950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.73951700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73882860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.79609530E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29560930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.12817430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.04272500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "41": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30767525E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00104183E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98814705E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96971653E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.00780182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65151028E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05936238E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43771861E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93872529E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79256882E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12370810E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99321611E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89750313E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03361828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61232463E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37268878E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.04786621E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78372507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03604260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06855208E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69265584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02816657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45575066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41153959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54293603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.81041128E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79281562E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21201747E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09001198E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03607226E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28531763E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52149984E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23921398E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.75121154E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74751737E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71557231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22567032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07975585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05605013E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05399819E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44003972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83566379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42558496E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97381825E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30336506E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16647495E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90147042E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03587350E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57687774E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51473934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70954700E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.41335166E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.46446207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69558350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.42052768E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19974229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05263858E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.33490109E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02048782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63342997E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.12639417E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19030750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.99390460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01820860E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.91833210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.72777400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.40819230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.33556320E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.77852100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "42": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.18593067E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99699637E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05526774E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01462746E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23841742E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76063138E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10994167E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.67302668E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05007645E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.33124218E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39001238E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12706196E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05780714E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38299679E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79325745E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46674080E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52482955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04021302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17464560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14337867E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11645850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27041272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59303796E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.09571039E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86493465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06707947E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10470125E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32696610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13851361E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18709071E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60089746E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.35231022E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50218302E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.71143141E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13732017E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88698607E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02591794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46977280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25238609E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15277331E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.94498091E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09951147E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56553846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66467667E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62105632E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26317930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23241359E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14744982E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70566193E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.86935649E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84119157E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.98119496E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.73102973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82769311E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.09288136E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54976916E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23439895E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03519349E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54213168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87647397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12932516E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.36733420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.60730680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22376520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.58162020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19387330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.52472710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.90566690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.30188900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "43": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33028930E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06262239E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35714186E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14608662E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80962351E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01006658E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22079543E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17605640E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28373479E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04399326E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92577508E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39037067E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18929570E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04883678E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13404169E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64167382E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43183703E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52926728E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44103200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29549498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89111323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69119618E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82681782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36864259E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53996401E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37415440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32676785E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81322390E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.42548166E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37256242E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98728678E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36543338E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82196481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08769718E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60966449E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09426687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99226419E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94031666E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48959911E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27038246E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53816241E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40762880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72076108E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.40856730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95430692E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36016700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.55583764E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25219701E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03741054E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77957239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17864368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.44732572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.42563878E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17887084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09360564E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.53665838E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77280582E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31884351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.99181372E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58207470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01956168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54999860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.24098840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45234530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.43195220E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47731730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.64526980E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.58696320E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.86232110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "44": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.17858316E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03366447E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29674310E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13441297E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79886144E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01443954E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22416412E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19751238E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29776946E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05222850E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96862058E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41133341E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20003645E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11144722E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17398756E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66766932E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58485227E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61520538E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48671659E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31277302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.06188622E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80066287E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87889104E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51526064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52319203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22319135E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.66997501E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53337817E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04758390E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52407113E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30134723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.17927213E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07469640E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17833842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97182981E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25119516E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07147064E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28772055E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66155173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35712811E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.99187749E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64999923E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85124813E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.05363718E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25210332E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44336257E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82788313E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34125463E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98609744E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63586077E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.12459562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.20082450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30306295E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11135636E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05397318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.30540561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62484758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24458045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.59221072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36138481E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.12490555E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.73925980E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.89943430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64059730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.94623200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64874400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.77011810E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.00670730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.35569110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "45": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.21003901E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05962006E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44610005E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20547899E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11533474E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15382542E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28692816E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.48079939E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42641166E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11250488E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26538253E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56423476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28081802E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53997949E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39988830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78515822E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16359229E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92166951E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64840342E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39721850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52756116E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06122152E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02608623E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02366296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86011047E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29673881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93318562E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62896757E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18290311E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71954400E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70655659E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02266956E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39856123E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29403366E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43283222E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45064056E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16331210E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72983091E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88144099E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46612950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.54937684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94260773E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00254525E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78321661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58030420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53197599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.11357424E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43126879E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13858801E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.04979049E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27696915E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.85486218E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.60954511E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26341294E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13170176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71305720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.83610097E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35475842E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13480226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60946883E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01406408E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.93421650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.57826450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86028500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.66866020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88955400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.89899270E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17513210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.91710720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "46": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11571378E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04156824E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40980911E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19982441E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11550176E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16023497E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29167561E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50874547E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44161884E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12038431E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30442147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58254112E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28892265E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57572815E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41803663E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79751444E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25139679E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.97949543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68662653E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41643975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.72834288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20396541E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12647100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07338486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.11162053E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36130435E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13211689E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70269194E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28847344E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87212859E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02103887E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10306125E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64355987E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38026853E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.77175033E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59536869E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22902680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04189480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03358317E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54334659E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.96096618E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16389070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12494390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03962413E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86749908E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60876306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35760958E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50853813E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08586264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.90268263E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22161766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.60245280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.48502139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19514292E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09314442E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.49253600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.68664583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26393957E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.60097245E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30332690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.60887284E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.13737510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02888430E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97981370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.85290660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95096900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.03312740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.33002570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.43341940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "47": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13686102E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06092636E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52580240E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25845582E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39904851E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29353792E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35413925E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80450716E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58420713E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19034262E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65258027E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75748414E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37754396E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02947689E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.65338908E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92070834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.90113422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33067749E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87668282E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52068008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30198766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52029976E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28580744E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15233290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47118690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43343513E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38640955E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79165402E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49071527E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16591750E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63029191E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25969588E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12303826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54981797E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44190760E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88359970E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36135235E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.67769267E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35045670E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69714178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72926322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56005706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31876443E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12947874E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25472128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70689381E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66435941E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60013998E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46826769E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.93808672E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60261025E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12488450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.26169761E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58675689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29711217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58318425E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.28888782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58762927E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.26906522E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12428867E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22366870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.34445970E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10117360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37680450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.58521000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.52840340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.17032740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.62875810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.42919330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "48": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.89071917E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00899377E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40330953E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23026019E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.34248649E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28767707E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35760229E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83941241E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60632150E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20271592E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72012830E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79541933E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39977454E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16361970E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73557333E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97172651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02175520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52086545E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99117193E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58782437E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.75154371E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80825980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49714461E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27246742E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18835547E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82516466E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99072098E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43895456E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69140839E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45979997E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24037706E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41589189E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59727855E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71601136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09360664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16194338E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48832589E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.28426575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65089870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84343579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.46581972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94042835E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50552204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21631949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63120729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80059568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.95515015E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68575922E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84652381E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.95224686E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97358227E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28441382E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01300907E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96467964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49449578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64081796E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.87222530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90266310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.91299749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94585758E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59146030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.55786590E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17576370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.62069000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.39673500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79891200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.31185380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.78753410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.95844700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "49": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.88285108E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01322180E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44319731E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25305646E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45791027E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34289156E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38370938E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96330036E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66599861E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23197689E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86611244E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86966766E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43848567E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37122965E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85011377E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03678183E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05919921E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73915158E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11997725E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66317520E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24803137E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12394788E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71488961E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39886979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95707144E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27003236E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03070733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47969655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01267710E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.52883982E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60155878E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20058700E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29911106E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.61064689E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82802263E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89139916E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63625555E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75951911E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82062597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53208370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33618738E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20350914E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27461084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12494860E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52201368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.03356107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45233343E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.37972784E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48547075E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.53599087E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49981056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.51929048E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37010093E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11525514E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.55864522E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87852136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51563641E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.08391902E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28620339E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21331674E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10382616E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.30206236E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39763470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.86616184E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.02133570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00487780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.81789580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.66497420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.04007130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "50": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74534402E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99067942E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.42651511E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26767650E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58724261E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41934390E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42421167E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.16871088E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76879156E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28355618E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12815896E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00493669E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50942383E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74886852E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05407833E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14824953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12075676E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08743786E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31890244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77951378E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.93225188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53108388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96897898E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54241230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80222349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74016006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26412099E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53500260E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61980376E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.50526578E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81275782E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74666186E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46099329E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15260775E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03062504E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72200721E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00272550E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93106728E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.65908914E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95791320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55941371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31828770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88259247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44761101E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69239648E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93855133E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85023748E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13935931E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36767301E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25274119E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68298402E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.17043940E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64357763E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24314710E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.19714288E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.21431431E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69744422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.09025481E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.85305289E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53095738E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27898151E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25394670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88425001E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09938726E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.39106200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15637110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.27041910E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.48626760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.29281090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "51": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75339381E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00285955E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.51340658E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31641818E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83930931E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54360602E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48496438E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46579639E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91512222E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35642277E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49617816E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19380445E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60799487E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.27184660E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33547136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30085051E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20490009E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.55880977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58553371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93639956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08012259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03108721E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25514803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70084983E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.70895719E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23290363E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50488113E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.61020954E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26309595E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.54604330E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03869693E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.33132624E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63403286E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72969244E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24533694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.59834078E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38783846E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11074464E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05356011E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40269005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79252628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43818063E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.52036006E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78988192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87515067E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92972699E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34499004E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36544503E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30225540E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.05315649E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88616736E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88872161E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.94388368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38310455E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.89443168E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.58037631E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89580022E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01889566E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.47370762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88147982E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47385029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.31984484E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43297470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34929640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77151210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31217890E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.85180770E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.89884920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.55220940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "52": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.47672242E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94066595E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35544412E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27817855E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76531836E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54056208E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49337516E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53773421E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96154542E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38385471E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65224478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28106906E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65649405E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.54164467E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48638503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38595708E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25284678E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.83304446E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74325905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02660117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13678715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.37321695E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46361798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82700904E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49667574E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73421082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74432211E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.69852295E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.85083154E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05425035E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25968945E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.91042343E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80644604E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.30505497E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45894053E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04675826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76888349E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28817507E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13999369E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.84042140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02114726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55580857E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.14782844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12736661E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05614029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.92575451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86304109E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59850872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26035604E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.72841693E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05595772E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.48464255E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.19176371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49807061E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46548988E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.87895755E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05693190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10790207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.97227758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16027853E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62949691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.17853066E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.88493090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58544670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.16446420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47294370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04949990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.43785420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.81868980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "53": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61756518E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98499834E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53957214E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35962458E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.13522194E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70734024E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56935233E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89053926E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12885404E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46488985E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05395149E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48460929E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76151822E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09201527E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77869334E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54278618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33857601E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31570569E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01877937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18928389E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22824521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90064889E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76855245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99745852E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04772815E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26461992E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00283038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89786351E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53102094E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16626810E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50450395E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.54458986E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99322399E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92087351E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68460786E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13747028E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.16210199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46939828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22749162E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27994973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24873708E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67236049E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.76792968E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45890514E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23380612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09114802E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39293154E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83607745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.24033576E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.62797082E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28130470E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.27325330E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.51901205E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64968565E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21833666E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.27290877E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27033664E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22606013E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.64007859E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.53920694E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84184721E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34887528E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.49337100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86444650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.57120940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63913590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21693500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.05977000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.09261160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "54": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48423264E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95885756E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.50058918E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36607377E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24863019E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78820775E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61704848E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.15003854E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26552168E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53569844E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41759707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67129605E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85801382E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.59489204E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04269972E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68199832E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41151661E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70954371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23373885E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30914483E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29810095E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.32385894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03606176E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15735140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14324160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84124790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27819260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01342458E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.10131557E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26524380E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72618852E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12720009E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16623676E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.49333216E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89448485E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22174491E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52689742E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63727568E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30846524E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.68611444E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45840034E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78019021E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.34468903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76710191E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40022684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18493691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.92315492E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07474884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.23332857E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.56806256E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51543754E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.08866259E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85620914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80551164E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.99140065E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67714973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.48946885E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34747076E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.32692316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92993904E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06167169E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05656103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12785410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15222000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.99356540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81159540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38446680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.76723630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.37429050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "55": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46013948E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95239765E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47858799E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35926991E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23772617E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79241253E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62263856E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18883181E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28814095E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54847766E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49162288E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71451522E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88270827E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.73175836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.11681588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72262572E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43399077E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83643947E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30251793E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33386940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32602505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51049587E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18003562E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28157856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23685235E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91374788E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98268826E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44830456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.43981270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27743147E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87929476E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06102307E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10396530E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43948696E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11897001E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16628433E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47606100E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.52122855E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27232141E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37396752E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.18824831E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94301580E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45673921E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43534104E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85708541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00630763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06932858E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.62603379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89349722E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46565095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60214345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05354627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35767010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97423139E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54583510E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60300028E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.58971303E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.76506422E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80894082E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.60020316E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81731735E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31874292E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.55132951E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37809717E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.77679042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.47615462E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00701034E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57833310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30242508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.29345754E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79382752E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04582820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38502110E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.43668860E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.99304060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.63575043E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.10966020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.66665530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "56": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28086965E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89790764E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.25586977E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25800485E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.74618158E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55153677E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50409573E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60417226E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99760198E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40222266E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74287504E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32477599E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67709698E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63638149E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52943559E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40932382E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26816951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88200023E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74183377E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95118184E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10344180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08256192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18054891E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68813429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83867704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20291415E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06335810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86002370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84048861E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09846152E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53305840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.97190043E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59658232E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47800159E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.12160846E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76219279E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.47007346E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61907028E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51254788E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78578031E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21745021E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58915454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.10054941E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20788440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20721993E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18944851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.37282594E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34027771E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73499305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36826016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09661813E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94824110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23590520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35388561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45643843E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.51767149E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99851226E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.26579395E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09447914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44739556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.19015565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.71283436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95671159E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04718100E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56405651E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88634175E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47287376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.23682363E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.33032812E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29802090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.69569954E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.90063720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18316630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.51074070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53761100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.38639360E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.96824520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "57": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28338123E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90549055E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.31825220E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29672396E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96380957E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66522057E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56180240E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89304983E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.14214608E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47499311E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.11329939E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51591761E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77721815E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16882362E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81658670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56541550E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35070272E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33891990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99539713E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09370575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19066310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60485812E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46112394E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85798204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90657121E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80671021E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37418211E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24997801E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71707171E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77981908E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08368032E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75393681E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83956028E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00866487E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05095529E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04243012E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.96608995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65050782E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.37759521E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48788672E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71906129E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.75007083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54559125E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38723132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28966181E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94921551E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65571312E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91266737E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36050901E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63095831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20744703E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19018986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69874571E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58799802E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.53815253E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25410919E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.15946860E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.46547049E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61947065E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.04447030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.16130026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19819959E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18118485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.31646862E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30070342E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69849430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.35573260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.56603843E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44726227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43753571E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.38585620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38265450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.34542960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.53557050E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.94199520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.28068400E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.39474190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "58": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26682072E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90255285E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.31643616E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29969378E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99010888E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68072257E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56999740E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.93471656E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16342778E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48617206E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.17425534E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54997478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79642400E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.27834296E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88033677E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60418680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37954576E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51871232E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10689237E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15935402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23095541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84864182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59492106E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93160045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24515392E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96777106E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45443425E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46456099E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80226709E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81654853E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15115388E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87861271E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12755670E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08560434E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28060340E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11789085E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23832387E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75774366E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.83331258E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69411098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81712112E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.23504390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.79349382E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51594307E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35869594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31878463E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84900109E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01068403E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.80797861E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.83446304E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29532222E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47504695E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80640293E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62453465E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.96380310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.35942199E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.52317447E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.61481547E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68763723E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.37818765E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33238089E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28883676E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23012545E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.57870439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43772477E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76663085E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.66564021E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68406994E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48647306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.54968947E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.46917917E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.43590908E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.56922639E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63662982E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.92914858E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.90394373E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90796228E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.06859731E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.07826858E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64123882E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.60492267E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.60187220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.26644700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.54634910E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.46226520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.95069030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "59": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.25476377E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90240462E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.33335453E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31364409E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.08125890E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73325858E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59844760E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08224292E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23809632E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52360140E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36216645E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64517828E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84537679E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53323016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01372361E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67430497E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41523044E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70502661E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20761202E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21197173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25727762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.97198564E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.65967584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94591399E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.01094366E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76498578E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32837183E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40506742E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32900327E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63563932E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20065422E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97148362E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34300595E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14312841E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45157425E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17357496E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43654847E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83462669E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.15494299E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83733062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88408589E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.56059692E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95565505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59724893E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40038978E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.51980715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94068724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04157423E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78828326E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74146736E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22418746E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.12706476E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69413819E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57121901E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.37749560E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46138887E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87402054E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75843761E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75297683E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.69715314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.49526650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37486120E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27629329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82349925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.56401402E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82810287E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.93574063E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78302247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51780851E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63198788E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.28598640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.79147188E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.27985651E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49284136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.16769074E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.46761175E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65243058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.57328175E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.25056726E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.23536356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.69494403E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.21893850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.44451670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.73872630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.80259180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.37340510E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "60": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24995022E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90568935E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.37055469E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33930501E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23422496E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81579319E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64129959E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30117672E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34999401E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58091325E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65668476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79731548E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92455150E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94948146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23544512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79395290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47947415E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.05877334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40323233E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31608164E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31742401E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30974269E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83585867E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03701050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.40696718E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95616955E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41471002E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56606307E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40227902E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66890855E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26902027E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10165765E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64814142E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22530944E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69782656E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25444306E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72686895E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94819647E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63419696E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05282734E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98599852E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00623242E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21104531E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72993402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47155708E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89997266E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13813021E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14030790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02258729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.93504072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30551758E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.41570106E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80060454E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60589563E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.79664708E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56437421E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.22728738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90269463E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81846058E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.01622411E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.65788061E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46062678E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32217510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.06537358E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68780070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88744370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.18801068E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.87265925E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54403818E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.69179288E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.46469707E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.40614188E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.54496508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61836930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.79408848E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.78505255E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81036490E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.32796434E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.58647924E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36843202E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.22129379E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.73908920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60616820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.95157060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.31802070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.03155250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "61": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.17846744E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88927679E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32984658E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33118828E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23397318E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82823800E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65149733E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36438355E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38571358E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60043042E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.76253538E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85467705E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95567693E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01189757E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32828264E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84586921E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51191851E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.25220283E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52178476E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38855825E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36002944E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.55810119E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97680475E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11308098E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.75540356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.11817981E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49134335E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73569381E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47067396E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69827058E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33404352E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23052382E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95590918E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30910836E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95059019E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33772019E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02597301E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06506039E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.12646873E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27375890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09030068E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05750074E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47196533E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86462986E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54334819E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28064658E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33479118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23847730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06644263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13122726E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38858670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.70509769E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90544233E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63928453E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02147850E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.66678398E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.57747069E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.04532524E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88304578E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.33024916E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.81749768E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54463927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36691087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.29930546E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80635108E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94325464E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.41573466E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95077536E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56517375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.73167716E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.63449090E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.98937090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.79582287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73706905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.38518436E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.08320248E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95765400E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.02496955E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89271073E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.48774703E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.68598948E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.25199350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.76175670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.13288020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.70019740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.47966390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "62": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.00279961E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84664547E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20880310E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29752910E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.15314693E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81655157E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65555285E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41984007E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42665857E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62604039E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91211406E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93960126E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00350270E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03885462E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.48076643E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93253993E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56205400E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.53744539E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.68492552E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48041052E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41337862E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.86237715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13984604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19797050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01113522E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28800636E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56944680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90579990E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54080632E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72824204E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38971165E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35013215E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25178447E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39131415E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20169052E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42106557E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32636077E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18254522E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62133563E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.49575740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19505488E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10896779E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73361622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00005242E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61567864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66437965E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53266014E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33670843E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10962264E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32171700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46839839E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99199084E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00748284E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67161544E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06347376E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76933867E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.92710111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.18737106E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94720549E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.64149111E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.97524258E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62745929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41078176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.52671011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92036874E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99588545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.61995086E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.01809496E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58165405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75380001E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79899163E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.55362437E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.03799374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.85155441E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.95425408E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.36899625E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09792009E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.68270728E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.17810012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59704558E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.10457990E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.76565570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.91411520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.30971450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.10228600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.95012490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "63": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98556015E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84226569E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.19498032E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29282689E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.13815971E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81288264E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65559013E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.42804724E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43429532E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63164720E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.94978576E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96365694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01849718E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04811234E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53736114E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96709565E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58868814E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.70628270E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79240658E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54893005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45331297E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.09491047E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27487010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27109219E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04435887E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43902494E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64141520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10014933E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62329416E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76191200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45905516E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48963608E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58805796E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48338514E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48016628E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51276208E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65431632E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30984404E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01537687E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73310401E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30643599E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16342292E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00942602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14239799E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69152510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.06653765E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73982096E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43937362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15492679E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52217126E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55239566E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.31415686E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11915302E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70597157E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10530864E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87118135E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02731956E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32760687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01038928E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.94735695E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12986412E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.70847845E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45349005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.74619804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02928853E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04514617E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.79962009E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.07433391E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59347313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75848023E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.95981390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01044347E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.27396312E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.96299439E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.50723501E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.64556628E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23282262E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03097933E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.44691684E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.69821047E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.48520964E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.27746720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.06410480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.48734090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.63183720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.58157630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "64": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.87175024E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81478006E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11848266E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27282249E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09938332E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81292834E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66154519E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.47549352E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46398929E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64889239E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.04888883E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02150713E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05272476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06834806E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65599222E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03658772E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63111939E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96371902E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95299344E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65375837E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52088400E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.53447204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52094987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42309452E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14510421E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03901476E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96523127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80718328E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36961953E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05599358E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53761613E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65872244E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00938483E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60125722E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84231967E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63345255E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.08995975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48019393E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08708837E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.05481093E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45845356E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23826046E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.39263616E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34319933E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80057929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.66924386E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06457591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61644665E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25101039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04731310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81103853E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02553629E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45319326E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83470321E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14846041E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97595110E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06282433E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47111587E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07490578E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02590260E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.28708918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79070537E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49670355E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96738892E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.13858800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09418772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97145825E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12702649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60297727E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75060917E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.47435339E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18842311E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.04694068E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33732468E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14245701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.67175009E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.78383303E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32321205E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.92445597E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.36782862E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.46350583E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.86364320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.27041570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.70606110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.44128460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.24962920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "65": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.86891582E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81736806E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.14363446E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28957396E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.20066310E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86878891E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69089315E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.62323060E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53628127E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68347990E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.21056730E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.09528995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08609417E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08376063E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72974338E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07266091E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65370002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09163327E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02835416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69829385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53860574E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.56888984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.55781366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42334040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11301118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75657266E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79122136E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.43607765E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74511512E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81186227E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58861106E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76534743E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27039716E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67310211E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.05934820E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70439523E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34032839E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57568373E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12626632E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22599036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53711807E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27593649E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57824684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43570640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84764165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89292290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.16441872E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64919272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24739475E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.93009385E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72296710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99410137E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34597368E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77428264E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19032526E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07727673E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09705042E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.60911471E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13679182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05573956E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43712332E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86893308E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53743978E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.17212768E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.23738583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13644949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00974268E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15841379E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60523722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72382080E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.27537489E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11827756E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.73488099E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18033302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05831336E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.18062175E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49158219E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14978354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.94731014E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88152810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.15570261E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.30901050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.37781690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.68006750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.06930540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.71367840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "66": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.75544116E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78853649E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05946990E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26700518E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16206662E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87775330E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70663976E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74852967E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61954752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73440045E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50908577E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26649295E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18275905E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13752493E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02595489E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23591695E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73991946E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.56114640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28439488E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83011335E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61475837E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.00645291E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77452995E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53256119E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15633979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97316073E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88598391E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.60946296E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83124472E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85006770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64768815E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89982150E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61351084E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77022615E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.35921406E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80425865E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.69865800E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71445728E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18404244E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48221480E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65677292E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33417321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87213788E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58705011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92808824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03179825E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.38235949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75652421E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29428446E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13601740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80873098E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03428504E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45836541E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80762040E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23323267E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18087527E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13195017E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.74948400E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19960003E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08595812E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.58875718E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.94785180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57841374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.37727332E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33598353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17826022E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02133801E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.18544593E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60505437E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.68480669E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.43145704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17149261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.96188492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.28720782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11109597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.44169550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.61680892E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20658801E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.18237712E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.96523717E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.45248180E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.83333880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.53296570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.77466020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.45900760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.97990380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "67": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74396932E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78651752E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05957833E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27095877E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.20013318E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90372401E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72216018E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83395213E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66486247E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75827654E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63613754E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33468089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21959805E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15761356E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13670344E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29762644E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77794449E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.78469379E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41811228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91709164E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66475434E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29109155E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93389301E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61609267E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18923617E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12828302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95897060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80558193E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90778792E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88053279E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71810344E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05221815E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.99504711E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87708973E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68679334E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91271086E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.08551969E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86335903E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24566133E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75395445E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78304463E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39535888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.17994471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74538935E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01214901E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07622003E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60946281E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86819997E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34358391E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35343919E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89974809E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07375624E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58094665E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84314165E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27674310E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.28568799E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16717379E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.89087391E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26275908E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11630476E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74080644E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02686031E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61926828E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.58033368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.43266209E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21847747E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03122173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20400381E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60136149E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63301015E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.58698322E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22443766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.18745938E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.39329713E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16340483E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.69950804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.73981816E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26195033E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.40880878E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.04431090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.72666816E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.35927760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.68662830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.85472870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.82653250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.19109440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "68": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67481543E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76618859E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97553279E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23038529E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98515139E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78856616E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66038522E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.50361026E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48822119E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66377926E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12879399E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06131902E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07165820E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07670086E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68322934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02878886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64768561E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.10643629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07987564E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81130453E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61007493E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.07102196E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87870386E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61303107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21159619E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.19852496E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00599320E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02294024E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97666376E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90527946E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78258083E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19943768E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.37266209E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98437540E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01866531E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02319588E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.48064516E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01549381E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30856986E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.03106319E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.91166407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45761808E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.49287599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90638765E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09765512E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12143805E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.84131830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98261257E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39455779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57943174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99493274E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11686262E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70978476E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87977294E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32073873E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39139345E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20259354E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.03268515E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.32595245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14659959E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.89220390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.10533252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65963986E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77932048E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.52639052E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25658788E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03908168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21295871E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59386873E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56802785E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.74222503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27720500E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.41200949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49879356E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21533532E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.95456460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.86087915E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31601026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.62730188E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.11907573E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.97981351E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.89085990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.84056920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.92462250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.14555270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.32740140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "69": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66736958E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76615940E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98989925E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24427958E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09067142E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85758897E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70290572E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75602171E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63413865E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74560626E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.57681755E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30369232E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20314408E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14926641E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09573146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27531158E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78417552E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88607751E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52198558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01509711E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72298452E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.64033820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.16463241E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74967977E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25881149E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.43758941E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10826287E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20072456E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06168921E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94193552E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85353060E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35848141E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77826419E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09927123E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.37332068E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14100363E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.90067323E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17658031E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37489674E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32202694E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04620888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52252189E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.81849855E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07433915E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18708548E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16895835E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.08514011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10293689E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44826781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81783963E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09509631E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16346089E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84390375E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91731130E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36556294E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49886018E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23851975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.17624749E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38983148E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17719043E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.04494246E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18440959E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70020126E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.97817679E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61937638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29384881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04564225E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21464838E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58328745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.49181490E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89741650E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32987560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.63589549E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.60387337E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26697628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.20732516E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98022267E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36888441E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.83844309E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18980241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.21320771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.04311230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.99619300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.00038000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.54056740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.54970740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "70": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56667501E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74059686E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90789395E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21546325E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98171415E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81261125E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68218865E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64908007E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57458642E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71223898E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39636234E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20888468E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15313252E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12186564E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93510636E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16831786E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73003963E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.59087024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36906992E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99089044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71511503E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.67260757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.21915297E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79372137E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28597887E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.55627006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17138134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43029345E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14986996E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97550318E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91079526E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50118567E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.15885963E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20989891E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.72046308E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25756159E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31893456E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33751350E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44125435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61327478E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18090789E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58751212E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.14407205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.24075052E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27501259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21518925E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32185153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21962478E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50034990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04837986E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19276188E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20948200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97237675E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95318644E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41103572E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.60772785E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27485448E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.32123272E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45425584E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20800363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.19858728E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26383107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74080097E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.17612005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.71122536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.33006841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05076911E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20853816E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56949824E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.40445392E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.05275174E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38251510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.85938957E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.70865322E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31837803E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.45805393E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.09800878E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42066072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.04264050E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25667533E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.42774540E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.09797440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.15409370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.08401890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.07279680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.91565980E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "71": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.55650136E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73886198E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91344574E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22576249E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.07029677E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86949937E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71467229E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82306330E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66646836E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76203109E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67372388E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36410892E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23988397E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17055788E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21125251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32905246E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82211001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01367444E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70071423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16227297E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81518771E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02069341E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52522888E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97292486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41410988E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31338676E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58240825E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06367984E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.13097208E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37468016E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00217284E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71395519E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.71428441E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36993928E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22107654E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42561587E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92272369E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57025238E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53743557E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.03667220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37754623E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68277943E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62526131E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48977580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40850578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28804944E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.70694491E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42387532E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60876305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.63265082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47737464E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28596525E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32221771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09728806E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45678916E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.71680598E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31108653E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46520373E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51799705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23839876E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.34960809E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34160347E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78028212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.36661700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79861695E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36375307E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05381519E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19411279E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55293490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.30484201E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.63086247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.58108768E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.71814617E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.12424298E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53215848E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.60448133E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.71339875E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.74636679E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.69174849E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00483695E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17386119E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.58577330E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.20252680E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.52551510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.62466040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.98590290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.75807270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.72326700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.01311400E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "72": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47387190E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72158300E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88759957E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23692904E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25793831E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03155111E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83018986E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.56085251E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11052469E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01870177E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01220109E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17157224E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68786995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41891787E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59590969E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11484202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22485262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22723073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80317008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66243221E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09940142E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17604417E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26099040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33692332E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55564497E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.19965847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98603844E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23617130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89567436E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67729126E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07433271E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89981095E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.22089317E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51961389E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.69676642E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.58693776E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.50562232E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79542451E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63048935E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.44580981E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56724576E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77453292E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.08782228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72919814E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53705409E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35825489E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.08017987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62483170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71640682E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.21486362E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75706116E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37243308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63671743E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21488058E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.72524233E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52891276E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04082521E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.79652460E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75071735E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.58216251E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.35209497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25729362E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15980782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.80172020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79991459E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22507431E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91171836E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81605533E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.10065659E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.14435448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41220015E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.97547640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.75700059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33686492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.49941524E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.08799631E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39458851E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.72547744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70220258E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.06070230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.30857290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.90470030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.98476058E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.87378800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.39548360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "73": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46340897E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71911950E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88216787E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23756519E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.28526975E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05868804E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85067044E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69478039E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.19167039E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06553889E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03852534E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31719519E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76752410E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46211665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83105255E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24626950E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30092608E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27326477E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08337179E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82295904E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19742190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23446251E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.58291202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52577272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66419669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83973533E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.31697699E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38987593E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.48509651E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90242612E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16396697E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11790871E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.80417061E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69031577E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.23615580E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76908002E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01610704E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04748978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73418067E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89980606E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77698524E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87562423E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.59593609E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99143275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67713172E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43441029E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.48174751E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83983890E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83004522E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82113985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04284599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46662789E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.95254291E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32307321E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03124245E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67222756E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.52884868E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.99482921E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84037805E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.01824421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.57395123E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37394629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22167235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.12640703E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97150404E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30997466E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43707380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08705756E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.24452895E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.79781620E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63620422E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.94584107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.22554049E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.57856089E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.79373118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77892969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75135480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.36943084E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20915474E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.62244430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.41593650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.29050610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.11928633E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.23484990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.08425050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "74": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41018810E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70489853E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83172802E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21674430E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.19067252E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01635627E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83347184E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63415862E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17500855E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06388903E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04104107E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34910785E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79598694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48390359E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.97876636E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33738585E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35243925E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30186961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.25024908E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94137929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26968708E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27882613E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.83884335E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68337589E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75976731E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.38336790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60600973E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52587336E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98528887E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09430068E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24544773E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32854740E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03831690E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86258639E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78650783E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95631043E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08377599E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30814488E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84138849E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36873085E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99336748E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97979850E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01183828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25965396E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81957226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51139595E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.88574213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05650421E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94352021E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.41911766E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32086298E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55320744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23521199E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41814578E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09440668E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82590536E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00506052E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20641404E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93596219E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.48318785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.81079983E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49883902E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28835587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.47991139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16168325E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40832492E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.98056754E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.35135087E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.33820662E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.38338168E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83656052E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.80869452E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64309995E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.79326205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.94381629E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.39438207E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07200822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.89768088E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74587115E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.47390320E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.52461890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.68265670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.41552147E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.67125850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.78739520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "75": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35989718E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69194013E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79498858E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21052705E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.22640450E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06411159E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87016706E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.87685669E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32560748E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15308862E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09303061E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64950603E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96549833E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57645826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47487261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60492333E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50001235E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38500901E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71304453E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18022714E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41233390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36216426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24621484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91034367E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87808960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00649849E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94407902E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65778728E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48909768E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28513445E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32614724E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54223770E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09782849E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04117876E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36034385E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15224712E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15470738E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58126104E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95352193E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85802903E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21860206E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08798095E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06594548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53659266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96601090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59010198E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29969813E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27886258E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05882521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00172240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59438851E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63359634E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.49077440E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50175901E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16164850E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.98897975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06024970E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.42962247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03658556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97171379E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.05928203E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62976468E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35829694E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.85124977E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.36256728E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51388549E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.53697107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61385847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.41051909E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.95193446E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03070277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.64178247E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.04690209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00073032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00564871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.99110583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38362025E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03678508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.28336572E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03979990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.63471830E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.08130750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.73365348E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.13246190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.05042770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "76": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.27257269E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66927915E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71679959E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17813966E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.07191080E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98939869E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83478815E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.70361249E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23711398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10760757E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06894071E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51580509E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89152476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53796302E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28856331E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52005327E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46990980E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37506195E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70496599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21605555E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43826749E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38210059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41986285E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04009529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97882878E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05700550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.21154994E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77568447E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91576003E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44900771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39734780E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74559720E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15631962E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22010891E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.94253296E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35270374E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22763581E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86268125E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06911502E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36222180E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45052337E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19927405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12165441E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82394657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11914998E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67328653E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.73361436E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.51294839E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18307259E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06553469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.88568590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72513914E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.77999023E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59125352E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22945038E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.15283727E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11550040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.65242515E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13684795E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04579982E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.30670407E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76026356E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42818138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.22394460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.56592290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62200984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.09505431E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87447219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04746313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.49326891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21493483E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.42927397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.42803266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19601762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11016202E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.55197385E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67846358E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17912467E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.81290373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.23296840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.74635820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.48681960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.03113771E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.59700730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.12347180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "77": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26557070E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66799660E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71455573E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17849771E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.08259290E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99782342E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84025972E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.74176091E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26566156E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12815094E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08306261E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60832544E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94932441E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57299248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.49903454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64635475E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54559286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41952066E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96745323E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38085683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53906014E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44301622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.76860402E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25156806E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10232188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12441609E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54664820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89433942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35966387E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61515649E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48528268E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97869821E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22172119E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41766894E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05803433E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57111011E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30672506E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.16635447E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19315193E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.90010707E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69659438E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31678328E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18017066E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.12372161E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27752726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75850063E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.17824141E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.75262779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30848545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12927921E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17361591E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81009789E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04237184E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67125639E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30076028E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32472136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17328227E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.88476841E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24112930E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09624763E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56278835E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89510340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50030823E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.60835220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77609459E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73446034E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.66615746E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13736839E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15376445E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.01737751E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.39283326E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01882436E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.79525186E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38412853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21080600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.09289243E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.96414114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31820351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.33544605E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42588700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.85962820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.89938410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.32313128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.06628930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.19787600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "78": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23420892E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65899440E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68116212E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16484183E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02504897E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97530860E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83323908E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72993169E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27067310E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13512541E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08831873E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64294132E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97163388E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58715347E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58678103E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70062704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58419336E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44521405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13902372E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48666004E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60540936E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48571344E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.01886656E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.41202599E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20284608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17470525E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80381761E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00629250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76560267E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77078534E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56816279E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.20810428E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28741914E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61867997E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12348863E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79653781E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38862603E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48115986E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32167481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04567665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95087586E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43802442E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24045191E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.43245977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44043695E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84606294E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.63428838E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99885830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43707997E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19413604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46504578E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89449186E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29907816E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74782345E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37262779E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49719416E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23101317E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.11612320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34473881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14629999E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.81679073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02888445E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57194762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.99126375E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98671881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84805425E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.23896247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.40065701E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26055379E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.53390681E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.56761361E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09322089E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.15465796E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.56806054E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30913817E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.62207100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.24480990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45574803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.85551654E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61951390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.97461660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.31925320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.06377326E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.54812010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.27365350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "79": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20722185E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65203591E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65791538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15623033E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99306481E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96414959E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83059018E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73616208E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28555453E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14864996E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09813562E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70796184E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01343252E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61404252E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76047503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81220084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65695654E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49025873E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41074448E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65028217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70322634E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54290092E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33768986E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60569283E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32465197E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23675190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11377850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12094928E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.19014878E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92996891E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65072863E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44146920E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35503096E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82714630E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19172564E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03235178E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47444090E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81092180E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45606146E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10373337E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21538265E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56384824E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30289570E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.75225361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.60892673E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93652205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01043048E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25279113E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56950900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26038793E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76109469E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97865855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55119224E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82141897E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44781015E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67716021E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29106678E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.35609420E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45192758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19794849E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.07825792E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16631231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64540819E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.38347565E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20264263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96488353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.82342970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66732051E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36810745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.04603731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74042218E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16667491E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.50923691E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74952889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40612577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.14450483E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52275993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59267636E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.37589250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81456950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.09140030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.74667040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.20070770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.05284810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.35082280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "80": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12469008E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63000198E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58135711E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12640907E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86684811E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90779773E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80369752E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59773549E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21024785E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10667513E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07455838E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.57522121E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93833272E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57096876E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50730159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65857114E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58020082E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45133810E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.23885044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61241165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68797286E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54467071E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.42550174E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69598090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41595084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28093959E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38447244E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24481117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65966421E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11919795E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72039001E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66150036E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42173815E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03843590E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26214315E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27883259E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56495125E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16080146E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59916366E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16569241E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49810622E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69851209E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36974621E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09420476E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78828185E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03243813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06003768E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51996470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70842935E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32946819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.06782224E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06510308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80716257E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89365113E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56799497E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.96521969E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38730221E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74157103E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62484917E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28173466E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.50548228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39286102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76854909E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04625288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56392220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16373781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.86526299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17692814E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58951527E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.70518113E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.96276315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26111670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.96664184E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98407780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53224830E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.82669725E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.88627997E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77363778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.12091882E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.11236180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.21003780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.18177320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.36258277E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.70234600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.42940060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "81": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08065886E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61819739E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54011652E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11035998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80336594E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88482357E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79728915E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59295390E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22230583E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12016222E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08528266E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65073069E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98842819E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60331928E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71523927E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79269345E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66890167E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50914461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.60893478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85695076E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84941168E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64950587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99556157E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04580944E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63070922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40669517E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10350554E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60605843E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16832538E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01391846E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42753717E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14041033E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30688276E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04933497E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57357790E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29209962E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.93242075E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98386651E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.40802025E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75210542E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75737824E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.59182412E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.35233370E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27084287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20836151E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.46569645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54604117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93651311E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02935156E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47511333E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75810139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37743354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.43505311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35622566E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85719824E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24958305E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03881897E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46725832E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54761056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03554117E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.69737280E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28853172E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17228804E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.18961286E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34166896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80401385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.55801447E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.01774026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53510172E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23332218E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.69796609E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46388080E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.99285125E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.39007663E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.19312209E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35882918E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.43981621E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.22692107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.66305546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.53817185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.27104494E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97350016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.08022357E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.52629430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.97511750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.51887060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "82": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03798479E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60690745E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50158015E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09541152E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73747986E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85240024E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78043163E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50480279E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17656436E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09673002E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07363806E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59612309E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96529042E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59507762E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69510257E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79292554E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67978643E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51962899E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69502226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92454742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89250027E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68005206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23723643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22327683E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77804722E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49086619E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65783736E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97829937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36025214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89616920E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48876065E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16821975E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41127699E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08859283E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72414988E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35125079E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17028736E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08204042E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82465553E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93487429E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84103284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99380189E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55452747E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37621095E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26467890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.77241843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71724457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03301293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08287874E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78253851E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93572621E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47773217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.01333423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63794096E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04471072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.97592513E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29356064E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.06417412E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74121675E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11092616E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.02922099E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44704323E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25285235E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.61554572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57496541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93406179E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02760058E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42011456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76252810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35839970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.38064514E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81842020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06118956E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00520285E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.41495533E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45275798E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.89365180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.45975469E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78845449E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.22196908E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.64266605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16866137E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.02167191E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.60408710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53085016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.67461000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "83": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03119892E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60514899E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49460224E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09217826E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72286077E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84554484E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77691456E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48420218E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16392597E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08885196E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06852884E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56164908E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94187439E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57928191E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58800210E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71603844E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63672055E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49608973E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58643392E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93302357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90841122E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70043921E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45188226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39079397E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92544119E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57671776E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22623938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36549072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55529714E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79945828E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57163117E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20200125E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.53385085E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13288565E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88809084E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41393227E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41758767E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18252541E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.24851014E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12276827E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92853126E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.41674992E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76445132E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48295911E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32043796E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.07329278E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88439565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12684889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13562105E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.08939127E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11500618E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58092243E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.62751069E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99503627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21713018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71368957E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.60564710E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.79426902E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97738965E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20263396E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43209485E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63926977E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35047079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.13190618E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85781649E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09198210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11516104E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.91228033E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04303186E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51355417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.22430784E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25039533E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26579892E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07030290E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.63238800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54467335E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.33683554E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.68697240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91071064E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88941892E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.00681763E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.36158202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.95517091E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.67301970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.78625800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.83062260E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "84": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04132058E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60781395E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50296684E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09487767E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73598814E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85568070E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78562706E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.54972388E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20812353E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11623560E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08446488E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64931617E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98767414E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60218822E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69844819E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76533840E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65861795E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50451696E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61199521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96704287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92099898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70811312E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.56814016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.48420451E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02567504E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63701424E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.66086655E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73699821E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74012749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.67323249E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70483094E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25428734E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72157602E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20167538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14740809E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51433022E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81666935E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34651738E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.94478784E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42681812E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06558607E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00588033E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07734618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64074877E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40231877E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50681654E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11869237E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25585038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20443832E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.46951983E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32581203E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69891908E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.30278160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38402297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39823852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47226927E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94476700E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.58557164E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23232873E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30121862E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.86354416E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84457341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45444577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68140169E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15825297E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25967572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20861528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.43980393E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34518237E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68154993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.14193870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.72050658E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48634616E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13495050E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.84763958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63553758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.77420903E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.91113585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03125894E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05482774E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.36738054E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.55387945E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88738949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.21912863E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.98756630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "85": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03482564E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60621874E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49836954E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09388542E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73977311E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86231251E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79228388E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.60618208E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25144821E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14664496E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10454999E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77583526E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06466756E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64794396E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96629450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92144919E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74964998E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55808898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93225315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14038576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02064999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76300850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.92098026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70496630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17982594E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72804337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.22656942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13080993E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93665037E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59565072E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.80820295E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29759559E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88229312E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26152758E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.37471764E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60307011E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.17330592E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49335845E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05659290E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69918962E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18969792E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06453783E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.36400181E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78500036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47694036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.90307293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33302353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37341985E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26737102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81901609E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51776239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80703762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92798270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76241232E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57474650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.22057178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30243632E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04185084E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49974095E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40424481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.31289497E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05788923E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56221370E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25040579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46867205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43279458E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30548231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.98796665E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.65962865E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85695263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.10450738E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21483577E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71535619E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19973926E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.06254277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.72608505E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.20928786E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.13405247E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15110240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12039677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.72709106E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74673093E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08233409E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.72950677E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.14591080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "86": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84798489E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55661447E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32787165E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02832277E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46297726E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73833194E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73395901E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32206424E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10893642E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07335353E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06600587E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56967131E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95281483E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58620869E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61735059E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70952776E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62643649E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48209526E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.44019334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90578503E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85826415E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64592887E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.43696688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42043507E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07806857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68144512E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.00631872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35448673E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06144330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.27636781E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77708571E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30667777E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94562797E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29131783E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.50325792E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65743754E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.40364278E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59205726E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09965430E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89189488E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27873625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10714451E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.57491838E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89263780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53336179E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.20609431E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.49955347E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46562537E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31769463E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10603253E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67730712E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89843313E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.46659718E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11732737E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74318443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.95136360E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67507519E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12841311E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77649334E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51038247E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.77379248E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.27595657E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67204077E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.82948435E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78401338E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60866844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40437654E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.54960079E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98257799E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03796235E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01041437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.73001501E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95078075E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26483434E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.27823687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81692888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.64528882E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.35732024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27103637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18603298E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.08776747E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.94090639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17660739E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.31008520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.30604820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "87": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84196158E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55489550E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32052997E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02463280E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.44514761E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73024103E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73063388E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30943141E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10470458E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07234456E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06624138E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.57596093E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95949290E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59211136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.66647585E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74626472E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65685980E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50639792E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63135729E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04487758E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95248801E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70665602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88867584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.74936667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40996084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89469745E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04681411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33574655E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72443061E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35952190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30440000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95071293E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14641119E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11329999E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.91216192E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36496714E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16654993E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37525890E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82822160E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78632351E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92795002E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81096909E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19362332E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30832703E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47003764E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19844186E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.02692163E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12357243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65512337E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89694352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90855952E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72188201E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48396883E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16682727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39962249E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33315518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20395993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63616073E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62575587E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18122871E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47761560E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36812410E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52390997E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23487907E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18182539E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24611481E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15247688E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65436553E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.39821035E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57135609E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82080645E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.61576628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.21264869E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84920445E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54160560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.33391609E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.43818447E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29598719E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15583880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.55490414E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44408603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.86904540E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00829277E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31948775E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.45835513E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89257078E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.00659061E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.54248602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37114913E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24246133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.42061937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.14407465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27780943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.99564783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81280960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.47114600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "88": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80565570E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54524704E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28705247E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01159919E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39348648E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71281160E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72944470E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.36497948E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17673584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13502834E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11189842E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88090825E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15917077E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72294310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51443107E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29721346E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00187725E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72510500E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00277953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86476426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51299858E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09488964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19638314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.11440168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21057962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34582823E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31510348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77422309E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61549960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86223187E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47483700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23951224E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56556662E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00564657E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41078956E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.35017805E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44751581E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11458884E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90182872E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40364943E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01125681E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28002327E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69223184E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64671585E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28291666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44582958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33762712E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76771530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.48098978E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.19333028E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85329696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53238118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31968300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38897906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30318048E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17321581E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01525933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97087111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47749661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00679983E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77053641E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24964369E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.73211611E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37211900E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54949200E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80458301E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.04257989E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.87334073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97153465E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04071526E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.64127047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08907736E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67890972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.11756466E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.89199077E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55374053E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30158105E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.38505218E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92330385E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09463920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56605274E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38629006E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.67836732E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98496918E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.44903607E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.76903467E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49302970E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30959204E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.79505201E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.35161155E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38210100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.68426794E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12848990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.75932963E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.63971880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "89": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80130752E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54430109E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28527623E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01211496E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.40746453E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72650286E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73976674E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.42856534E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21022382E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15066737E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11928839E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91718825E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17278903E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72293861E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46064158E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23220851E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95849893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69798398E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.87142783E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82685558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49922667E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10207642E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21649208E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28637531E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35874102E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44751973E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38878150E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.54856070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07471016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12815869E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08049053E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92750818E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86719733E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11255540E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45856074E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53380650E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51794135E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.38938665E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01148276E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.85152079E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19868707E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36049147E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04765670E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80880746E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35945386E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.82020531E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52689653E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87354512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01626231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65040931E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17132433E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76021024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.83973173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44995537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95903323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57951001E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.97519606E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99213151E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93619252E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.73047442E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45197369E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48467776E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.51223994E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25021563E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.33957348E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86503427E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26081628E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.03127572E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05893670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62060169E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.82921372E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91988131E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75439015E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52232301E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.43462682E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61006288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45250007E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27425477E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.30663686E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63749498E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05242310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92731817E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59681734E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.37457893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27831661E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08705579E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.50681562E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.90070696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54306286E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.18204144E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.21341358E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00694265E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.14803499E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.29253480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.24908020E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.81301060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.38719010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.71390100E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "90": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73546654E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52663363E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22264725E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98648407E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28683546E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66333555E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70393510E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22006853E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.09160502E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08740468E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08821236E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77856860E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11886483E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70714667E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45440216E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27505145E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99801583E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72657653E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00725341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95544974E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57179240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14017785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23424345E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31916889E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27236181E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41655465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35907940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71812427E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17307405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21437267E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14516911E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.37304321E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07352474E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17358513E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49562766E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69212720E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58252331E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65163472E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11901827E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29961006E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38918913E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44332499E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41742993E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97903836E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44053520E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.21976874E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72985836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98061006E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07487725E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97561224E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35869081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86939472E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04709775E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82382333E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16556916E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69859087E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63335883E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36780757E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12494205E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47274779E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72572185E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59010926E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.70532459E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29217430E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46211937E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90771188E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27763340E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.10329140E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09188119E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63629447E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.90650717E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.95874266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77394449E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53191993E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.48478925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.63440984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46596080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28170935E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.36002165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82909560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18316635E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59558674E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10672197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.73712703E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.58563166E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.47412617E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.73602931E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91133504E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.79270356E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.89356816E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27309199E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.80565731E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.86411683E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30497697E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.67663520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.98949910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.76856440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.93675140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.10592700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.07663810E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.01943960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "91": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76066586E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53330988E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24443479E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99394726E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31464667E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67473805E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70948981E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.24982075E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10685574E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09310968E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08818578E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75185017E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08541385E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67630259E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.20364861E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07302703E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85301180E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62083524E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25022566E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49966961E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24980550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91392241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13827096E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.78605239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14962214E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39864827E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37905561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71434098E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21376414E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23629822E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.57957583E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12837515E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95884943E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25757994E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53016586E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82246161E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63204561E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.84338636E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19508321E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.60850387E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51729557E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49757453E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.65282188E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08427019E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48921128E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45288665E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84521300E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03927219E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10523340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13455693E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44043754E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90941469E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06846282E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.93146271E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23099218E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72764783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.71896836E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34197933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09326077E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.21010500E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62374166E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54575878E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05911197E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49745718E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.10885266E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.15052049E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38064789E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58188948E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32909042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76023221E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.57807041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.33372866E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.98648211E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65267777E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.18292078E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.04009477E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.69515415E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40515512E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.96096851E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92114841E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16138837E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30136111E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12059073E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.78109512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60367912E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.55357046E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77374959E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.92860222E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.87952306E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.94160467E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29263317E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00721685E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.08826436E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43589540E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.59016610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.38481100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.28703680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.88375550E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.26419700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.31754150E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.22006800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "92": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.66886267E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50892968E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.16047520E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96161434E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.17952534E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61558027E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68272564E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12575762E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04875779E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06594886E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07540512E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68984978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05473877E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66171064E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14401131E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05672652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85403992E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62928892E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36093827E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58115962E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29572548E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91486984E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14242164E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74627252E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03651896E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32173132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30523335E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34092343E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99654152E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13808680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69400033E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.15411360E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97704118E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.26997043E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55031024E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.92252723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67576293E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.02812982E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27286191E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.93835145E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65895350E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55940490E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92848865E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21060196E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54901411E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.74553591E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99278919E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11505005E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14423001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33492658E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54261746E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95645774E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09242892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04614224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29863040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76454665E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89053986E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.41827612E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12886942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.30305708E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66160787E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56289260E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10309490E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59792086E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.41855414E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26410001E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42790526E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.79816182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43526466E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81520570E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.87355167E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.49730741E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07826352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70413108E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.47870149E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.20908315E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78931303E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45399687E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.18994800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.01211589E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19212031E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.39151099E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15235695E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.88491767E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64709530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.75678965E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.87582288E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98140169E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01647698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.10395591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.39102783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06516458E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.39983569E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.58084240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.56834550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.65105850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.23542160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.74962620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.11597200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.53702070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.64819920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "93": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69383908E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51562553E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18335988E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97036247E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22136303E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64036603E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70100898E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.27043755E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16179720E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14893796E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13304283E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07308703E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30245315E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81904931E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01348291E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69224748E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25453153E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88318207E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10072867E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52450475E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90789029E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33279975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37139408E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28683608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09734651E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90186274E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66575907E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.05566640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89393645E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55048435E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.27182879E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45041921E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08797655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37147562E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59385592E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09112620E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74123466E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.28630940E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37671520E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36477246E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83767950E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63591659E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26399617E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36196322E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61954180E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08539610E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16185866E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20330755E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19311156E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61847209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71468544E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06571438E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15931006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.46362882E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52913981E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88964838E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.52318223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71859998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25942685E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78075302E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83449182E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61512249E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15327168E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71198333E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77301775E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39648941E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48391465E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.05697773E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.56246955E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88068816E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02214225E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.68655511E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18213836E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76123830E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.80141761E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39097196E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88859533E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50435892E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.41990510E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09842134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21914935E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46053997E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18697991E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.99825859E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.69453748E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.97975621E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.98810849E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03973240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04799110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.28157761E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49866211E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12563737E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.70940611E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71948308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.95426610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.86395690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.02525150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.73523460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.14056420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.77993490E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.14630320E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "94": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60520573E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49198227E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10142040E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93833001E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08019532E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57150903E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66499726E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08218475E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06794731E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10500232E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11462283E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01964269E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31248331E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85057873E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04359907E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91216304E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38863762E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96135698E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14326267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.91813539E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17931244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51975359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44577277E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.65217189E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.20132538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95902073E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67956846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90468646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72745423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41963099E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28296096E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95850019E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86220510E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37016368E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60803062E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.16905261E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77670738E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.43961543E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44211823E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.64421170E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95813957E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68854313E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.49800868E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.46840457E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66928699E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.32475259E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28038376E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26370352E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22455519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78441094E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80070572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10814070E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18247145E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58438109E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59346374E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91400107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.51687594E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63754688E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19359941E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.39316062E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68673525E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55093629E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19160302E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79880026E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.03616399E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49031659E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52170214E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.22415193E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64218017E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92104427E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04353935E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.80455425E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.24867864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79873741E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00187522E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.51414717E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.95602974E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53724002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.55533519E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14634904E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23161267E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.48139286E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12520051E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.78870462E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60480842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.53295619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.74987879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90408843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.70144309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.83649734E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27147769E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00726544E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.10332734E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.44410755E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.13231780E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.97485770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.22102570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.83887270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.20418100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.95864510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.23172900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "95": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.62921598E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49831249E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12170923E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94499820E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.10347516E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57992758E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66780957E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08284304E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05783323E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09584274E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11044126E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01057244E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30987097E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84450874E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03564083E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83136204E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32984556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92206159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12128447E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71501597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04417268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44924759E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44080197E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.70696546E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31986510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05657755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74998803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.40226402E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.00191715E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56341757E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.36503211E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03344002E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90199863E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46186700E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64778890E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32454977E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83758173E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.68114213E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53969641E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00460272E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12677893E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76068747E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.81349858E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61021279E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73514055E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.64113981E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43728552E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34462243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26809304E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02635944E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93880422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18761396E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22911271E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.85899255E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74707949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99474514E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89464824E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.80599275E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26397212E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63933799E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77224887E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57784528E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22605139E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87640764E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.27331958E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57658982E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55727991E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.38501798E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.72016625E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96092606E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06478367E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.92149139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.31421238E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83559669E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02324641E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63561028E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02150901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56830189E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.67476799E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18675114E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24042264E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.48644562E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16647528E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.92422322E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.66164216E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.80134070E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.88556962E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97505905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00836059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.04340624E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38943814E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06962531E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.40250464E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56965216E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.10962040E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.19431360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.97569220E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.77916700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.13164100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.17376150E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.72897100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "96": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58441596E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48631179E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07912820E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92769409E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02749050E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54581034E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65244836E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.01731383E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03672899E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09493017E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11609977E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.06698756E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34346190E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85677712E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03610188E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78416766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27830857E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87937347E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09016403E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53371353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91531437E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35033688E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41504115E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.54434307E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.00934329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89887018E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62474703E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.07876922E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88748634E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57536739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00679291E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72455971E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20619682E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51929286E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68361051E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48286746E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90405134E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.95769232E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65546729E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05364281E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33760194E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85285392E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22467858E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79833598E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82384648E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07314862E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65420452E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45762756E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32908897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.36156121E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13007923E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29821011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29357266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.24417320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.97092005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12372313E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06361077E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22401021E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47680502E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.52953523E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09585763E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69942712E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26465200E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96447235E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.54283975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67444308E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59745603E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56549749E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80686072E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00469836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08767432E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.04431086E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38095070E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87212952E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04380046E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74798401E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07930164E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59357724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.75179783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.21006440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24249461E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46790235E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30171153E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.37285426E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.85104821E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.71514299E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.35830648E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23204897E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15134859E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.85016847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.83084639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30469650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.59067822E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.10198555E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.78857860E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.58891550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.16469100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.80836090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.05893410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.43969330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.14373400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "97": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59425318E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48877318E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08640623E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92983114E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03442517E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54804705E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65341722E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02133179E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03570351E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08978593E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10836962E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98591402E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28026559E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81827580E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01722480E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71256660E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26150908E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87948006E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08817968E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57541269E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96968518E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42995167E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48912948E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14815037E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37671763E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16508784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80583696E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86852985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25690722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70683885E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.74500205E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18745842E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96811030E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58688536E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71487394E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60905492E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95444121E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16022497E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73794173E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08774144E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48083166E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91399942E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.49055325E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91664127E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87797590E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.32831844E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77807474E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51942825E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36059868E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.52647101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21528748E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34084125E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31693485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.36302754E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02795419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14150287E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05884148E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11340415E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39285169E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.09735894E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92856047E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62680572E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30425911E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05332532E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.81176845E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77127553E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63700147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.74274766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.89209414E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04791765E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11045186E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.16773178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.44886394E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90982913E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06520422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.86578891E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13976115E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61998242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.82990509E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22925955E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24205843E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.43691871E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25020666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19832062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77639835E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.34258353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.15907632E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.11812568E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08553719E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.46024264E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.62053827E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18928941E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.96770112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.80381137E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.74230990E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.67840860E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17584270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.95448790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.08895600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.43880730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.19966010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "98": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55115460E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47732101E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04581663E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91317914E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.95745312E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50922148E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63207696E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.89393710E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95458803E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03831438E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07832973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83499196E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22032667E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80552097E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02423313E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84113818E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36539974E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94683046E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12823934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.75513638E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01940331E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36398251E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46950783E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.13509821E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69795973E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36886883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94808022E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03422531E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51830912E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82521941E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99694147E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30556467E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01620071E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.62450723E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74167298E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73220467E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00724916E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38295227E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83202949E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12780640E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65331689E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98922794E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82424139E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06802042E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94860267E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.66813913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94657221E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60609149E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40688354E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77830748E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.35482379E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41834302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36123997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.61310937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16503136E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21149502E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09108625E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25430375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45114858E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.29305074E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99364282E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64711644E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33707913E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12745286E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00377765E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85309788E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67048101E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.89221179E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.96339405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08365407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12906511E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.26730535E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.50316847E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94007742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08233101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.95797766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18483437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63714449E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.84805372E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22599979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23361422E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38078440E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29163858E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.33358900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83299360E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.60953505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.29415470E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18893849E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12390866E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.66793093E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.73366409E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24702676E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.23726959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91427794E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.56869110E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.91274260E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.25999820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.94218230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.02090030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.62620590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.54980040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "99": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54821004E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47647322E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04183250E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91084906E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.94437385E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50225814E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62920456E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.88990464E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96329763E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05022371E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08800168E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89128677E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24229447E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80745237E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01877928E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77805695E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32942023E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93623502E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13186248E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82910174E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07209510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38377136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44866008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67920720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.13464122E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95784230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63870344E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.92365899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74982401E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49178877E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.28522947E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.34718138E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03187490E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69718433E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77861949E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88759572E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07103449E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.64479238E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94055279E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17338368E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84763833E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07342083E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.19573576E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23569287E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02641670E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00404499E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13005785E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69942352E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45568724E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.04043832E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.49908791E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49749726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40672266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.87666798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31153993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28788138E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12676369E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41113237E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51581112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53940675E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07518744E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67196035E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37196026E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20611447E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02753123E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.93806506E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70485059E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.04431579E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03549598E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11960714E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14770801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.36636402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.55678698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96987016E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09904370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.04649450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22670558E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65178706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.84168073E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.21109113E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22065358E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30916326E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33580165E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.47743675E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89301017E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.89166195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.43634165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26317927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16398091E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.88388387E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84943099E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30528420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.50590247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.02297123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.42381890E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.13978070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.34081370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.97873010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.82152400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.79924370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.86548330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "100": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49349262E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46188175E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99104261E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89094911E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.86049071E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46620726E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61436903E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83440010E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94626533E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04780117E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09100261E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93811422E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28758106E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84145681E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03935520E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87587903E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36305371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93613074E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11112619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65294326E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92661851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27569498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39077206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43232825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02118464E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96781507E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68234561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51829765E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19794251E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75031026E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.42294269E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42944361E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06805804E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72163529E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80193141E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00208630E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12193007E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.86451120E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03486732E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21402390E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02431742E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15112428E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.54249469E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39345993E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10002136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03938977E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30485757E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78876774E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50279808E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29457975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63871796E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57402212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45048922E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.12515766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44780690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35768613E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15876298E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.55083928E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57338201E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74559766E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14252197E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69258466E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39973148E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26983341E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04690387E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.00758534E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73306005E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.16918206E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09454433E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14881248E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16266541E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.44402243E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59780241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99283588E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11190090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.11312349E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25614611E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65943711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.78819321E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17744282E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20110292E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21687511E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.37930792E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.61889221E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95199473E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.16904397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.57630452E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33639582E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20363562E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.09823474E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.96368465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36244487E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.76799210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12829175E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.40868700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.36902140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.42193210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.97915070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.45648200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.96014430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.15168840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "101": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49060392E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46094491E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98594471E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88767056E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83846345E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45055321E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60277272E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74937684E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88653088E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00860346E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06706802E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80399296E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22182318E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81446771E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03036952E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84672492E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35939734E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94365650E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12069354E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73296179E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99529409E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34273171E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44311209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83219100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19078335E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11981105E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86092168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06777044E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83558568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00945546E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.77142933E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58654914E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12479606E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.79185746E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83831193E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.15700389E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18614554E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13053716E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14601043E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26098997E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22541295E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23846216E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.92821802E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56750774E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18070030E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07792821E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49444208E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88512877E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55328580E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.56478710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78650006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65498093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49674812E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.38877202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59280951E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43214303E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19291890E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69962943E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63399269E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96952321E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21490641E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71439074E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43192153E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34027634E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06782899E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.08148443E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76254032E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.29758925E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15449476E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17817781E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17760188E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.52087541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63802816E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01544994E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12447932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.17764830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.28382301E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66577594E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.71709634E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13403070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17767873E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11111798E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42253581E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.75914532E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.01045286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.44388646E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.71512476E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40912700E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24317173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.31267542E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.07740716E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41901789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.02612937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23138299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.25638570E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.59942110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.50321850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.04672070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.14079020E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.14533370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.49343200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "102": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.48873322E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46044379E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98394027E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88698369E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.84491641E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46468753E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62126777E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.93981200E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05938801E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14668298E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16627323E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.45856091E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63185407E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06805122E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19381419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01114574E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24816004E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63492077E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63822640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00044584E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18187843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74881649E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13742015E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29684859E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64343684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40214168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47506410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27415370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.63889738E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30301814E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00881206E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76791773E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19728032E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.86293757E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87554746E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31728966E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25323744E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.41053933E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26369525E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31099681E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44060210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33230435E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03436466E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.75490441E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26728751E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11906032E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69550891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97497535E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58338900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.58127745E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69507489E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52853406E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39377003E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.51983603E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99481299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03027712E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01246038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87549345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32490335E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.84216941E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80908442E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60535688E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46342341E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41105485E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08908115E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15693724E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79279625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.43003214E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21658138E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.20867863E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19314986E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.60078792E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67967022E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03892264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13745767E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.24355628E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.31170925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67203439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.63749615E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08422557E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15143538E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.99465136E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.46685716E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.90270512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07018463E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.72424370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.85640434E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.48300936E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28324136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.52959812E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.19161837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47544849E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.28162483E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33232627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.04917430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.83592810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.58608290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.09461720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.70309620E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.37223790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.91989400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "103": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46118500E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45308878E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95722641E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87520939E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77966217E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42117133E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58779556E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.67227633E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84758615E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98893398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05767307E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77403886E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23503766E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85543510E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08475270E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40926836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81528230E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26983130E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35082685E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13887790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86900339E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87528305E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73787920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04481821E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35554103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67520947E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07473883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14774365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23658820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30619940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22928741E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73313652E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63669374E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.92868090E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91595326E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50108983E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33277685E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.75083995E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40972679E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37418690E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71713254E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45489067E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08952136E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00757560E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38575173E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17619480E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97935606E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13352912E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68536108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.28332583E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.19149544E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88601484E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63001299E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.17250528E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.03339718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67233525E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32012265E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.37055226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96127967E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13028258E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69294323E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88491543E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50262015E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49790924E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11505611E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.24919278E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82988230E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.59311184E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.29324607E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24645731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21248798E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.70133730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.73273497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06871390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15392505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.32770979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34853415E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68263094E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.57558505E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03663064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12521304E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.87393251E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60875718E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.36774033E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26497998E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06573210E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.33660591E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74215389E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42681388E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.34314986E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64329387E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71892284E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.53752007E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.91222793E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.66240340E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.21758620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.75443620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.98739100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.37724900E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.63693460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.12218840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "104": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43339482E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44542257E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92783051E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86157265E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70303447E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37210606E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55238304E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.40277733E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63810752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82919868E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.38443797E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89935844E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60032647E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40182542E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65258901E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.29205393E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47448016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47817993E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41831865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07167575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79557620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22873222E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36628940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.27030324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75217932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70240318E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40890629E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.57692036E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91452982E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45524295E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73341156E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04757109E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99526789E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95722838E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.69005282E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41496393E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10363015E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56129967E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43974565E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00348062E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.58141004E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14623566E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.26685118E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50735731E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23489428E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27082146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26952714E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74430448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.56520074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.34738584E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98748688E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69639321E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62048229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32144456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85304913E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43794521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10381214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35122020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36221556E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41655070E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10976844E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56254223E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63375148E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15652514E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.39951042E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89152438E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87053951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.42728436E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31487359E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24875608E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.89908976E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84237544E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13025894E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18906146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.52695937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.45888811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74357819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.84117000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32025608E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31131946E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.77935814E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89294807E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.29735510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.65332558E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25272597E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.30109575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.26958925E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.72120081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.03305849E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.60870045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25608948E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04370725E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.44667814E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54737747E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.30170310E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.59310920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.91994760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.73934680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.38568880E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.90271520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "105": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.40728852E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43844828E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90342084E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85183226E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66081454E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35261228E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54328700E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36212097E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62246752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82506544E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.38636424E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.91029792E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60942888E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40786423E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.68279220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30840883E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48224724E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48260196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31594181E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.06386968E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87192153E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24809527E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37652007E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33514117E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80674381E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75370492E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43394999E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79105391E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06880244E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61264135E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39060019E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33953996E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.05749681E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99668836E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87291743E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49521180E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.45075144E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71148850E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50512143E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29068771E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70896450E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20363093E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52951351E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63028098E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29398936E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56303937E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41839437E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82262318E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.98828665E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58580576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12372824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77459345E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00786175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58330612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00144278E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52268388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.57781843E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58067590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44601802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72195883E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21217882E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65386246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84109970E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21996884E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.62968310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98593198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.29574876E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.63255258E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41969027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30444320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.20599299E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.01486855E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22681972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24474335E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.84932839E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64214160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84917574E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.43541319E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67591123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49585460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.59984349E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15079441E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.13573384E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00221658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42048975E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.16468991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.74351293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98593646E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05561971E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.49316177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.75141357E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30708739E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.68487393E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89553000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.33993180E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.96674980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.08478220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.48274720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.16486580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.16995090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "106": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37015508E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42862476E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86971296E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83902830E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61193141E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33581566E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54060578E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39351117E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67221519E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87233467E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.76219019E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18531173E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80473092E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54650412E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71339680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05200678E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00985878E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82754267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09697741E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74317711E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08892500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36653796E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44602381E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72908632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98996626E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83102239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49786978E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08993644E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21912852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75867785E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.01715178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61857986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10829795E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03325099E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04902863E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57421454E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.79767014E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86327182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57175754E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58537775E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84051334E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26304767E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.80212072E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75805666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35547342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86725827E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57340510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90389142E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04221598E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82679032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.25925377E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85156754E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05296572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83771666E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14538753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60317400E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.02501365E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79416514E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52212785E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.98676265E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29701555E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75181013E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06305161E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28774806E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.87510627E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08639824E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.74761613E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.85057732E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53101246E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36359541E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.53180605E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19770366E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.32897576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30359054E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.18978824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83600365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96144417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.07961982E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03481958E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67356314E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.37350323E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.35440516E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.79319454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.27478709E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55092014E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.83425739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.10988587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19042230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17318986E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.17742092E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.13531785E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51280755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.67468778E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23435531E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.25213350E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.34030880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.24973520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.28037710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.38929850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.43875960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "107": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36872902E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42811840E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86605883E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83622803E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59351143E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32474527E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53415223E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35333654E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64576553E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85579856E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.67819741E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.16023880E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81291978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56655260E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91132504E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17373067E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06352626E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84944998E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15732127E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22388752E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40772245E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50374395E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52643219E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14262214E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23480146E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97264953E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55993640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41166892E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36077369E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88745592E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59103837E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88087935E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.19248649E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07982421E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.25795973E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66478908E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01876890E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03180388E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64512552E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.90788619E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98382479E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32753124E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09688395E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89565197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42137542E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19168594E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73782311E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98974808E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08785039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07955197E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40081892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93170999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09952704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09926887E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29272410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68544740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47433877E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00582341E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59697016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23683478E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37303511E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85077164E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28714110E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35610367E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12222569E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18736181E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02006516E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.06863079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64205986E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42248407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.85540502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.37891084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43027750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36198606E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.52815906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02927918E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07405902E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.73219523E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38884727E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84590721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.11874627E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54320043E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.39986411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52566820E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67055722E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.44754123E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.44469073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37724964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28056645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.80189342E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.48613058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70216723E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.60118968E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.57443342E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.04397480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.71507690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.41536500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.11364280E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.59778900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.70939440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "108": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34404034E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42148893E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84236314E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82646808E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.54973182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30390780E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52365155E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.29582964E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61170428E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83440821E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53399927E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05504650E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73503867E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51305864E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58623155E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03073774E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03275693E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86735548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15872834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24188595E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44306039E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54061305E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55227309E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.28378505E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37610095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08251825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65086240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96586450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66961764E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02891717E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23119688E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16481022E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25254367E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11942715E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.44649094E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74929720E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05596960E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19509363E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71704905E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22691476E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12658558E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39210383E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.39312205E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03424605E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48783970E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.51912283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90378781E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07648226E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13413182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33621412E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54442354E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01273212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14649093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.36265296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44202126E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76929877E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92588987E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21545305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66848750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.46716262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43988343E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95200461E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51596202E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42571806E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37309975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28953107E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06577951E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.28820699E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75368585E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48160007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.17963096E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56011813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53155044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42033502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.86601159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22250428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18701772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03904030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.74044302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01542124E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.84852668E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72563730E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.98368357E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.76657984E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78511399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.03425808E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.76440471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.55565695E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38304049E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.39676664E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.82067555E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88382132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.50003364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.91587655E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.01747770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.09207020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.58208670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.97184500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.84681960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.98210410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "109": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31891733E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41454656E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81607692E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81482325E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49179108E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27207976E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50514813E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.19293225E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56311483E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81750343E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.50513217E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06938643E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75511549E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52432007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.57460963E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95728059E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98049525E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86955244E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13665743E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03189745E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32026814E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46378911E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51132999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31091146E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37276901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10243454E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73794551E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.58617732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06106018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16423936E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.82542950E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42890695E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31371678E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16000842E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.64074475E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83674676E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09462250E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36556083E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79251953E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.56322211E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27760106E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46054569E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.70716086E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18091886E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55797995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.86369016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07802906E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16730375E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18248595E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60419051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69470017E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09752257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19567527E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.63769920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59773135E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85614162E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.38764899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42851270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74146223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.69512862E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50276988E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05704993E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.75331407E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49765522E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63042634E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39342782E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11186831E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.50778740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86447033E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53990408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.49767856E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.73720336E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63050328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47736622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.19692412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.41220866E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29841360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10438868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.08669045E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18175539E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.56518438E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.90565305E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.55746045E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00277651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89707715E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.60682211E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.07565016E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72922762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.48262377E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.97370273E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.14555212E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.06116894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.38508567E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.25915495E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.92862770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.47200340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.75019800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.85499040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.08829130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.25710390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "110": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34187440E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42072304E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83705299E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82243492E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52340844E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28713088E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51343205E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23670133E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58048610E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81916816E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46320177E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01975999E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71165870E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49136587E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35008337E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79088731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81522009E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69804567E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12397757E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.45352698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71605917E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71017917E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66347701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91337612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.74628855E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28607033E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77399509E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55254319E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89940448E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23289256E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02177679E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64522004E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41883056E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21374996E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.87796938E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93943547E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13901407E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55828469E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87673483E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93446576E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44294075E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53505429E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04779977E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33958813E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63360284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.23321488E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26347505E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26313981E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23309953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88250051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84948328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18416499E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24567385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.91594967E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75520316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94350834E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.84749985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63913310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81244131E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.91092335E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55981532E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15699518E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.97865775E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56614243E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.87723503E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49382207E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15666719E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72228148E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97309783E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59722780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.81064178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91141587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72788205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53345110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.52184020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59893348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40846087E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16939590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42973782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34638491E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.27361831E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.08430866E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01250762E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.23602108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00738788E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01704543E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.38148797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.89971334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.58032416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.53858639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.46404390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23584171E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02627147E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.60448112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08577830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.85554490E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.91997520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.77044600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.34069250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.53465440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "111": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29536080E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40827098E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79330180E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80489940E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.44598289E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25110442E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49660020E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16160894E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55257872E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81434228E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51727944E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10816105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80378778E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57379766E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.03797861E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25973907E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09463534E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84777005E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18449002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.67022794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85353685E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90026608E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78961671E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07237547E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.24619916E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60249420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97223256E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07695145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60675514E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47111768E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12196733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04188023E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.45323700E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24620699E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.04854786E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02017251E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17589897E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72476024E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95167691E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27269583E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59637998E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60516724E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.37157277E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49152923E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70649966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.59200506E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44491571E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35764320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28347399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16145081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00570890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27198008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29629681E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19876783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91632414E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03395752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03205937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.85533795E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88474453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12539393E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61387842E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26367516E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.21907228E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63892901E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13760211E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59883605E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20313141E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.94294658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08400849E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65538892E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.12658148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.08667641E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82567944E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58969074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.84722320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78559688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51821970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23428946E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77030831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50949978E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97632043E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.25997699E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06812669E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.46410186E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.11508393E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07208098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.67983865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.06614891E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67582114E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.09196591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.77743980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40878684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11374688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.95235725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19464490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.24309250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.09157760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.73225560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.63942360E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.81487530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "112": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28389212E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40521807E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78180836E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79948430E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41886022E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23823867E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49197681E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.15543894E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56108459E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82523194E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.61243470E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18125511E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85477532E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60672189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26857498E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50415392E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36757664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10314095E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31656549E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20063162E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.00791740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90296683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78393463E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08011189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23563614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59463200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97855145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07147041E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51185273E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52949835E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15935551E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25697150E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52229832E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28950204E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.25561721E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11409123E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21781106E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.91121742E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03480680E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.64516614E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76433472E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68150313E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72224217E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65513678E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78446385E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.97283543E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63598487E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45630365E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33548904E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.44586477E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16274035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35940387E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34629367E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.47661555E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07452434E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12232559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07791448E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06380962E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95321250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.32264038E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66155757E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36670187E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.45083633E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70890942E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.38733622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.69943034E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24764497E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15471515E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.19072065E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71149871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.43183159E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.25615717E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92047727E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64429163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.16358297E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.96826487E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62632050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29862479E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.10799317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67149237E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06753088E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.44007924E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12499017E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.69679883E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.22451893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12780880E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.98100587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23377361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77154130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.64214729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.08792571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58030520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20082206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.30218881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30576120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.63512530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.26520630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.76734530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.96449580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.09798200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "113": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27159881E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40170345E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76778279E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79291600E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.38362503E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21609054E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47575178E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03008499E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46355861E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75040258E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04151431E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75155764E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53569280E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37307481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53407402E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20525560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37971882E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33997226E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83762095E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58141239E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61382130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53690922E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.01634950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03290864E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60471895E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47729786E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64021574E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18793274E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44927938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20374421E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.99229360E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57573476E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.63528874E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75225900E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50983078E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24796520E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64954343E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14928246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09507122E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30970836E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07244246E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11250011E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50664341E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26359688E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53959609E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.46068271E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86375064E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02563592E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.67265709E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11799672E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75607157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.61375858E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18261559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70000696E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35903335E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31026021E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48336714E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85455071E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99758777E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49459133E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.73867961E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79593724E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.69820078E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82465111E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30302626E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.41786842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32315562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78108202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.81035833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46614915E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03734871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71131806E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.54996715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18568536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74758765E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36393206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.36450687E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.68694583E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.18405462E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40451400E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.92266206E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.32140168E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56372504E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.86342925E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.08510540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16226344E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14209456E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.87910766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.92251539E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35071410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.05357521E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77051730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.10279190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "114": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26015314E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39854891E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75565477E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78732629E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35602078E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20184992E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46843637E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99306704E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44598878E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74302720E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.01905638E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75120557E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54265333E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38097138E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.60599474E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26022245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41897784E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37016296E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02769780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70339850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68880837E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58309151E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.32490334E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22420788E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71780975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54915471E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.10039972E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47906300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60728013E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82641022E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04686148E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61308592E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.82493471E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84237369E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55166858E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44049664E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73790984E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18988128E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28215677E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39630291E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11278479E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30242840E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59749659E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30793737E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.76092928E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57394374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92323957E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05747577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.84618254E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21365018E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81044858E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.91700346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.35338565E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79434538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41336789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61935067E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60399813E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96204817E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55595335E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57040334E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.90778208E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84637448E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.87553608E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89496189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33359826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.56070468E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39372378E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81741871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00034727E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.57127474E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09586726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74425561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.73473056E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.29280001E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81196786E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40463207E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63145174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86560315E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.86662349E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54209325E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.36181318E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.50212610E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64916395E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.29821377E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.31890173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29136879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21498675E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.29107092E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.15249841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47579818E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.69645516E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.85333690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.20334580E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "115": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24889988E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39543714E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74358069E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78166804E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.32722458E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18633822E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45993048E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.94599762E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42022640E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72910096E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94571063E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71426100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52535697E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37351665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.58243148E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25652182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42332461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37789001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07284289E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73171230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72987594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61036538E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53793956E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37576966E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81508265E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60876272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50489539E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77207800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76056297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.45114508E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.11415673E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65859504E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00556461E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95207538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60272459E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.67645003E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84683742E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24029049E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51648777E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50587001E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16438916E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54794083E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71605544E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36632600E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.05508081E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72597479E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00386560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10085887E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.08535137E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34604235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88629989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03532548E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60290994E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93876662E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49606870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10349443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87230274E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13586668E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14924363E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65009693E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.08930872E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90177994E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.07387721E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97477279E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36875066E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.72683772E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.47670328E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86061290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02356352E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.69897818E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16742822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78505096E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.96749831E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42827413E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89258948E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45494095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.95747515E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07845519E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10493343E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67532062E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.78563363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67616373E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73125757E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.71530985E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.54292446E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.41497123E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28473613E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.68598503E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37378558E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59718550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.32105148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.86933590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.30282950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "116": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23782829E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39236248E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73158960E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77602240E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.29846329E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17086776E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45141631E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89804744E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39304996E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71371877E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85940622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66541385E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49715509E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35689957E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49487751E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21010082E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39974251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37103272E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02454373E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69871838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73603846E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61330884E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.56659604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43202011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85690773E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63046845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.70770654E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02632239E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89553537E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02275885E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.18846193E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70887639E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03118856E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07465431E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66011896E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94315573E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97055460E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29776005E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78418008E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63102504E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22321973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82689639E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85020292E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43208994E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38471488E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89540685E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09317097E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14851360E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34628599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48887032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96730471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08150612E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.86527652E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08968066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58217743E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.60788432E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16166945E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27759257E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73994779E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88618616E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.61867039E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06123777E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64191493E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20284932E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46936690E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.20425758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.71701405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98719159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09269598E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.08408842E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38207846E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90949786E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06964629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84421118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13077416E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58741635E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68994389E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.45463665E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26581305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.80612263E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.20053669E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.84620369E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81129166E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.12133221E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.76074492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53506837E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35248785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.07012125E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.58966038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71638381E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.93496557E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.06775240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.40186230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "117": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25920449E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39787655E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74867098E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78121512E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31363865E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17401995E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45112450E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88759041E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38327961E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70606893E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80429257E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.62950620E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47664248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34663116E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46247261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21381399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41778720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40569710E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31793185E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93955561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87468979E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70749829E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00522684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72688489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02029726E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73636192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.32921938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38926567E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07779317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.77632229E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.28934205E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76496041E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05792477E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19810247E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71661308E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.20133863E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08881295E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35218727E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.03617722E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74843203E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27827320E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.08722594E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97492401E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49292818E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.68792029E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05031963E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17433245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19168866E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58178806E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61829562E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04080421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12342402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10370292E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22627225E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66150905E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08020682E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44252638E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41372447E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.31481958E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12045231E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.14672651E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22105255E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21254990E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43227294E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57064533E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68500744E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95885837E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11451384E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16204078E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46979498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59849316E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03515140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14335465E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.26602894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37292288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72336847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.44325586E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83551412E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41794524E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.93563347E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.60999230E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.01369025E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88998406E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.52015467E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.97451126E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.65287068E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41893035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.44719463E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.80207016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83426979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.54241563E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.43336790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.50085240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "118": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24829947E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39484494E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73684339E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77563958E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28534875E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15892600E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44297065E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84292906E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35890318E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69284482E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73226428E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58831482E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45180201E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33079064E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36318594E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14574957E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36983112E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37043730E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03160527E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69580410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78607743E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65135652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.78413265E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63395830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00757843E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70887779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.17009847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54459568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17125866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.20262300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.35325333E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80944775E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08103957E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31021192E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76971547E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45064127E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20544916E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40668494E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29079454E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86757613E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33424951E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35218988E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10186595E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55477667E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99548803E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20694480E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25603267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23495363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81682191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74685165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11337803E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16445616E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33507489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35723395E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73775679E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.53233524E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71461208E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54480807E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87591573E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37637694E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.72323690E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39530250E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83344108E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68119517E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68017334E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.20333430E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21876374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25102266E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23613283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88142235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83084288E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17005480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22247587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.71995940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63412468E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87141360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.27211076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.26175850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60438079E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.06489942E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00176725E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.18016911E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.96805885E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.91536067E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.18610418E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.76938856E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.48461775E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.82011240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.01242935E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95144031E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.14623710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89891090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60011630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-cv4z.1.element.json b/basis_set_exchange/data/dyall/dyall-cv4z.1.element.json new file mode 100644 index 00000000..dfa1faf4 --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-cv4z.1.element.json @@ -0,0 +1,600 @@ +{ + "molssi_bse_schema": { + "schema_type": "element", + "schema_version": "0.1" + }, + "name": "dyall-cv4z", + "description": "Dyall's core-valence 4-zeta primitive basis set", + "elements": { + "1": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "2": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "3": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "4": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "5": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "6": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "7": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "8": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "9": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "10": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "11": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "12": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "13": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "14": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "15": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "16": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "17": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "18": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "19": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "20": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "21": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "22": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "23": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "24": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "25": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "26": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "27": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "28": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "29": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "30": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "31": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "32": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "33": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "34": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "35": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "36": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "37": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "38": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "39": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "40": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "41": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "42": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "43": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "44": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "45": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "46": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "47": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "48": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "49": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "50": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "51": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "52": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "53": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "54": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "55": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "56": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "57": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "58": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "59": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "60": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "61": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "62": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "63": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "64": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "65": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "66": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "67": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "68": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "69": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "70": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "71": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "72": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "73": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "74": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "75": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "76": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "77": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "78": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "79": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "80": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "81": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "82": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "83": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "84": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "85": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "86": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "87": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "88": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "89": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "90": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "91": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "92": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "93": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "94": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "95": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "96": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "97": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "98": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "99": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "100": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "101": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "102": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "103": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "104": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "105": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "106": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "107": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "108": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "109": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "110": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "111": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "112": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "113": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "114": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "115": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "116": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "117": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + }, + "118": { + "components": [ + "dyall/dyall-cv4z.1.json" + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-cv4z.1.json b/basis_set_exchange/data/dyall/dyall-cv4z.1.json new file mode 100644 index 00000000..b5592c0f --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-cv4z.1.json @@ -0,0 +1,165277 @@ +{ + "molssi_bse_schema": { + "schema_type": "component", + "schema_version": "0.1" + }, + "description": "Dyall's core-valence 4-zeta primitive basis set", + "data_source": "Data from https://zenodo.org/records/7574629", + "elements": { + "1": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.29410792E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20952722E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37359117E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80348626E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21810233E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32951635E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66557370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82099274E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93685011E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31152966E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89277250E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47030934E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92601346E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14026390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70913732E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59764174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06034002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "2": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.62391395E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43456284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25522457E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.19962178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99531480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07885465E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18149637E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69909998E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08089586E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00340814E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27163555E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25523565E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75378224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41950551E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32782104E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16419965E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.68495795E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "3": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02620924E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00216610E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82441496E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93772327E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.34724363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30242831E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02607500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76314466E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64890261E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51150713E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51808159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68069754E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.15050038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91800255E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16708232E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19863265E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68248114E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44097081E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73116489E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97429533E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57540731E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89923834E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75836213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.68205983E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68848934E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16877207E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41143589E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61293523E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26902613E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04114144E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96344231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.17431693E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73685930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58055556E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.65630176E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.44471203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.34012231E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "4": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81236023E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.05482945E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74441011E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76366176E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50836569E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31555968E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03365963E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30420060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57401677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60416933E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.43414730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53276299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71482427E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32460168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15247113E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18909658E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51071595E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01994549E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27052370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16307349E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74157405E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81946204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26613377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30144943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53363164E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47698185E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13617123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28208601E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43754077E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00894161E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.70204672E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95528245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.70483711E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.64789363E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78482656E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21947584E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.41414564E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.77918377E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.44911267E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.02897899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "5": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56072387E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07166186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36847494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.59103521E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12590094E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61584435E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95427652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22051893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30749252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40605463E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12712665E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42574602E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67396455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32316932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54225866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57775620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18712909E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44384317E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95538684E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60198960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48258236E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52070355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22648436E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.60233816E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32053028E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97221154E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.04348027E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06776999E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16794808E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04321412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97271011E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84044416E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42913684E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.93492230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.23442122E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.60219107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.69308844E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "6": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26268487E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74102250E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77618328E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03585910E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30323200E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17250655E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51364407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85292100E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.01669725E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62052485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69163336E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12780068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99859083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97704309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48640354E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91971299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78931125E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08400011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96739252E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94271220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23141066E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.32416976E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38203166E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46735388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.59318241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97908003E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33893159E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85889413E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61104371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32268850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71847043E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.27755698E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25243609E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.82463356E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30323947E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.45546349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.84486214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "7": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95972410E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63056820E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60179251E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51628054E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78777893E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68623836E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44956202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63305439E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13351501E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09613531E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37238710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13682901E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58093751E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75561050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19893791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51424479E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50092884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11673224E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16480306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69044493E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10755074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16030141E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73548469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06082734E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.24118820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14302025E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83471522E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.86226308E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.32535679E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82020518E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.68067932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.53742571E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34244982E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.88242061E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84938429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.12719664E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.36664075E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "8": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82110194E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70802358E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.78252693E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08499989E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53030648E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28475263E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69158390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53281438E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51560748E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79636443E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15825334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51161224E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41252254E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.65639590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60311717E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35223345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31917485E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46867134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56556652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28743045E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11855656E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53816912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29534915E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74383290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22777515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46974669E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39427019E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00895329E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.31116920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39701166E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84112015E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34475982E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.64969282E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.10774197E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54114713E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.36302879E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.82371624E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "9": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92989578E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07414309E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04991421E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78240051E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.64295029E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00459236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13715020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60226924E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96701021E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79209496E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07524249E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94676696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53016962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69380633E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06704175E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45688519E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25166909E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86632476E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19437728E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65337612E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27421047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96900393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07164123E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51998340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57165089E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96432022E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01942633E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25472021E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05660810E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05231911E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.17582586E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79379981E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15447821E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.49937707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.38825162E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12227610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.35511778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "10": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23235171E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66705732E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36393713E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58269175E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10534651E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82235448E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44058430E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81026720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47607527E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10399273E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10670602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43548280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19040176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85449618E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58554259E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18045354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28945797E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30669403E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.06824311E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06908062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57907421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45395500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00674062E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39008145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95593331E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62704459E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71023085E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52357572E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31123264E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78537342E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.66783552E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29530804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.83707779E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.07740867E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.42542506E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49301485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.95807958E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "11": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34346485E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04845356E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17887484E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59701263E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85076947E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65471915E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.16653694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46467076E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04252868E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.62206362E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13229121E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01720084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99001210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50700757E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28253461E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.58105506E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17972129E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54625055E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49671871E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58289717E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66568880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74378679E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21082437E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64314843E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49370006E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69443651E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76705653E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18596745E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42278785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82238897E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.03267762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67036139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68581545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66755747E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38279701E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83941405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00019127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53783723E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17159879E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05454779E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56468854E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56882093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.29169375E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20046609E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12370706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84493095E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31560035E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.41887396E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.92486864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.97038162E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03417288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.35084841E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.30593565E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.12290222E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.81838645E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "12": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35066558E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50833262E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24126686E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39481998E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.27285420E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47844524E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.22210839E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67895560E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55370766E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88160618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17271474E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51308126E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.42309250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72979057E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90942491E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.81284448E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76894306E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38220782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18180608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79289051E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34606523E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93274023E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05880693E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17299767E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48900810E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70660667E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85511108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82134503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.76099376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78550969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23129797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68310540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65961289E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24316856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.70032114E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50916595E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16027227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53485119E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.29702126E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94843899E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86972903E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.44577448E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24019006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32664645E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55717309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.39168364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.50872921E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41719937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04087796E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18229542E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.72043432E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.69353583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.91205128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64757579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.82366042E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.40931133E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.28876681E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.07048307E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "13": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12228873E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.74446770E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19350635E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10634794E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.44078490E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21498729E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19495547E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76098314E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00755578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.87669181E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08670697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94741042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55290823E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80131604E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45945315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26681170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26736410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18276645E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60837367E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07843666E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26463023E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69727204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13328412E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83113354E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.87876942E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.17737267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51393572E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27759266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81467328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68656925E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.81729455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69397636E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75418419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.24109385E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37203071E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51203602E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.98916466E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19299553E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47629461E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.47056729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06517185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.81970684E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66918250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97951281E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.98372237E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02513776E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.63508348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.23475289E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19416693E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83361732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.84130597E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.57773149E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.63854018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "14": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85467489E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99085388E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47412421E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85796237E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17474719E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.00328743E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48825536E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93019864E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50076720E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10572281E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09020704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42550033E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18982444E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97979441E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06347112E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58091260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.93367342E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06176718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07436018E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05670859E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61555303E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34629060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12288527E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26093123E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65198419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15527414E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50044713E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28186100E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25257635E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31969297E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07793637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13198453E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46543428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18068603E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22196124E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31364388E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96677407E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18722126E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80627419E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.74070763E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58794436E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33200572E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.85578592E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82256465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14328827E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28389074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.58840330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51816042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.02312223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88700108E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.45614854E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.94340326E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.46635512E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "15": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52293110E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28322623E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78008817E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69940013E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43632843E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89924934E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82064427E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24780062E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05309768E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34845366E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20028262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95080128E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44593849E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26159230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71991785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92347118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.76504231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01977779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58297034E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32888828E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.06565916E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05022554E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46017284E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.81945679E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.21914685E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44333722E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32619195E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57439586E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.42919808E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83457603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31728648E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.28739455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03857319E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46830159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56336140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94246012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28025978E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.39664614E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19334972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.24156726E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.19425066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73400740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.41310495E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85426344E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56690601E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55159605E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.58897874E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91460154E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.55879944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.48317061E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.02369538E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.37602689E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.51482785E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "16": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.16142169E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55349922E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08810652E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55882955E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70641299E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83366896E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16939128E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63388070E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63489325E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60453832E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37477737E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50896037E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71941864E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63670487E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42689156E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29371521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17463048E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05205208E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13304794E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62391529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61686339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80859138E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82473150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50535024E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.03084619E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76773927E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24200590E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89571039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.71319672E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39398360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57657053E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53785266E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66077206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78358081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.09551442E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65346863E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59654049E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.72760698E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61709431E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.88686246E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85976446E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16669801E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21628672E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.99691216E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04556723E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84368354E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.68333593E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37506899E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.44032496E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.26935913E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.21817990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.88654327E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.83982065E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "17": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57549748E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05505721E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34810198E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30984833E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94630345E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66885986E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48343210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89467592E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16919299E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84125613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46371640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02676431E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97306396E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91320008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08507380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63925821E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35745148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02604762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66650895E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91688614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.18557916E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58016383E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20163264E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02703604E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10603118E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12273861E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.22941754E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23880618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07499825E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98444333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84920905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.84906913E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31333579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11550066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74287592E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42023614E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93766710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16023011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08042283E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16874616E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.58745962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62733533E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50473062E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22652869E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56939107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15938215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.86876893E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.89242835E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06320846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.24643518E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.42916212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.46071387E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.38011330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "18": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.85215539E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14581165E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61489322E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13969697E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22576950E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.68069029E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87439431E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14930973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85538873E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14863608E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89287173E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71310150E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31197392E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16265790E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96922305E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10429980E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60841103E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31212016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.34632158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27765183E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10367621E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49392119E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63911657E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22771081E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33252769E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51083167E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29359409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60514279E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05195604E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60777360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13586022E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02227464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99563447E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46219755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14855846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23532082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30132468E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.68872887E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.58311790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36481024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.38362527E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12760327E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81697309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56227967E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13980610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50064473E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.15369351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.46933087E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31490711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.46331140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.65758742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.09341564E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.01086986E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "19": { + "references": [ + "dyall2009a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13549079E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44783820E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74102681E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11254518E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31996593E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73831411E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08936224E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53987752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96582161E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.82413497E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.09167182E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95290834E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.57195763E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80522934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46322913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28634800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82901191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66685108E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97172682E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03503073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52191217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96049023E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52677330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.87029581E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97742364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97736337E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.75891610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82402564E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49678036E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11473059E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10653406E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.29525076E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50639829E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90192154E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29542856E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00261635E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13634900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78926839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72686327E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37197897E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21807594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35814612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35039295E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74571205E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10471140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76562732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52410076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32673865E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66889679E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79319352E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42877973E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38139415E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.49580830E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62847130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.26195670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87798318E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13950837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.70229030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63280260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.52412988E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63333825E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.64491020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.86983860E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61969149E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.99098690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.42751950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.06891409E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.91000750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29553834E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.49857020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "20": { + "references": [ + "dyall2009a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04228680E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16345113E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82914701E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81107753E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29268529E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38191278E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65204830E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13021383E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84974996E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61449842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14723826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05304085E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04058386E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38295107E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83526157E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51710612E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22848822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50766318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47464024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31922150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18284625E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95343272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15504707E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13150218E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91667373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04283911E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12958451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57966129E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36436457E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69852566E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26579828E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99250811E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01201931E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62941937E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.20126371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62087687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19192000E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72247713E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86053748E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46603651E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.64564826E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03210840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10677559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09079258E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61328900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86357468E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29433694E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32649059E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03511566E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44643293E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.11827140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85863020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.09873647E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70417082E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.56538402E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36206950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63218424E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.17542957E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00576600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12636170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97600263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.74015401E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.14450020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.99058802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18385168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.17359170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60298687E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.76716670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.86062450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "21": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04694391E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26845735E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32491991E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01593035E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.12695186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71976789E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10393775E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73026015E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12699122E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94620753E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80111360E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38336815E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21307065E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30543985E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33370352E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78751851E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70331313E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31725155E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91774117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54885174E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43494627E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64290702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53694524E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31789957E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84545000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48586730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31924554E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53869419E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77290281E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87205318E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59253008E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47033426E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09369459E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94921871E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.33442949E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07686365E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39242267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66183922E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32249528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70099871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.86934981E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.68053991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44757107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26696168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50384966E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29768774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47291316E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.08173966E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34872417E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57397767E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02572229E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83869110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37497256E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45777705E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.65777659E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18655042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56324644E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.63867006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67357935E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72864587E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.89625633E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.44155142E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.47453546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32610698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.34575417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55104026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.26351076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35352306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.29698615E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.44728397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.00363825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.02699687E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.04605908E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.21534746E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.99603610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.63681233E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "22": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08249475E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44527181E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99869767E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25526531E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99949246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06372142E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25038087E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36667905E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40362397E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12070599E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41881953E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69614015E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37230189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13571503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78108239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03065213E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10154897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02390005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29884618E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75369047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.57312795E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28075846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89004489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50824452E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83930834E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97882926E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50008087E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45476199E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16565237E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03821881E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92874603E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96375850E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22403881E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28977209E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.55831503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57038782E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60860327E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66997291E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81645608E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95189652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01773635E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37497060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81491583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45721728E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45969867E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75774226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65502456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.84083915E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65281665E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69103875E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68983632E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08664625E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15796147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80747938E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.34825903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03937170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00768518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.96374567E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.86948322E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.32322345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06965398E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.65931893E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.92893961E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50017766E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.51065624E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.32161344E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16309110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.39061751E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.75699676E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.30487518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.46946080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.58217530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.73244108E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.68097113E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.38487767E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "23": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11669596E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61849501E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65729493E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49371700E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89221781E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41095052E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39212147E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98346593E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68891755E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25573683E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.06008475E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00899163E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53242046E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.97972822E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23279407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27822916E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23998805E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79856949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72558276E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97660582E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08034422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96194784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26502365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70050638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.81553117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45277123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66845223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24353756E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50338278E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18141527E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34546846E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57759385E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.60012792E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68995492E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.95447257E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12359597E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84872238E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78455704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36140542E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22845195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16168170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13679212E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21528320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66249454E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47453822E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23620880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83531417E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.57015093E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93613595E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79771449E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31234295E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27323709E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.88478350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13155268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.90143156E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.81622561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40668223E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20114224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.90063212E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82663114E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30389930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.66550963E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.40610814E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.68379008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.41795532E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03925896E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.16860471E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.66078348E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.07957677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.06646202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.30708872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.36296677E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.22307180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.14109356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "24": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07994817E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49640006E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23382536E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34324672E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32309928E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18220237E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29641482E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56973330E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50349329E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17028799E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64851040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79850012E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41909835E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34531913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86932007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07005354E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12260399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.14860096E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37962845E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82272135E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00304346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54067579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98874347E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59215248E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.38750984E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32271465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61206536E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.21347401E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10592201E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05790041E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75368550E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16840314E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.91740609E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07526078E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13105675E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66489565E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08497637E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.88547044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90082025E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50247803E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30456256E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89443182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61393655E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86619598E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.47721508E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70622842E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00698997E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.25111502E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19844711E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89580992E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.92934962E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45460331E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.58446074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44200972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13870540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56074114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78888840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39678264E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88077493E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30135093E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52277720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.59253051E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.82366856E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.85509934E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.26436723E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32623476E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.09799939E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26626142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.38373970E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.64420847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.08681624E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.89935722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.75121341E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.69347549E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "25": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08358536E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57677885E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.68986271E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55628245E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.28607333E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61894043E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49838559E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52691847E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96689701E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39707288E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77570527E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36996946E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71370979E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89311140E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70195160E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52681578E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37593293E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56178296E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16459650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23208023E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22707927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80027209E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72982759E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96843454E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02621243E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19318560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88852392E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00897473E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93281092E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38872488E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35569567E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.03906429E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18151999E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61282357E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31494436E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.38181475E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39176317E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12916857E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58082163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84442093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48096904E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.82073921E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09700552E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11055882E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06613714E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25178424E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20888831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00408457E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.49136286E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00024396E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63056484E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65863152E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.36332347E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78424450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30109129E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.36815601E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20035402E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60576376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.91783634E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.79743802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74769583E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.52334828E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.43488953E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.08039402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.12254163E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61661013E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.03844275E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.57031710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.77342073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.24161701E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.94059985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.46587816E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.18480562E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.02584227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "26": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09543802E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64280244E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.98451059E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68907137E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.90338733E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89899022E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62404418E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08812223E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21705496E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50997933E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30045705E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62491821E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84474910E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.60320753E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09809838E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74968103E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50207128E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28172557E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.57564901E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45679462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35453098E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51976857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12930088E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18198998E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13558431E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71934228E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03196351E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08335386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25424091E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52180323E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98674721E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.95186813E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37949829E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16651113E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50138179E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09867922E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69549321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26747546E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24619525E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17764989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65271160E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72344143E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56973310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35023188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18271242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78947832E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40230371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07806313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76220091E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09569409E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.33761805E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86315774E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.14257727E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12622652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46334951E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.17582003E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.61150356E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81396818E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.94663568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28694260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96835386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.42899876E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.98594251E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29317430E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.97594770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90287708E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.95558589E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86396713E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.14587536E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.85699386E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.08568691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.05604862E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.59389083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.30142031E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "27": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09197104E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69684127E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.36036599E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87096299E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07009700E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23082280E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75972466E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65895577E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46834587E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62607403E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.86530678E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91383136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99814390E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04314919E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54799890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99622799E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63865136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04090624E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99561822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68639019E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48223526E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22332540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50303747E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37642118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23336227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.19068652E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16146945E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13777978E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49565076E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62930508E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66107891E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93196652E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59217515E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76166541E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70256793E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87650517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02620406E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41811754E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97011401E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.53982339E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83900888E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69925808E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07693623E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60490016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30521505E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34826532E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60003312E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15228523E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02977843E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18841512E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.06112917E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07202425E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.93763309E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.47474506E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62861892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.99853088E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02973032E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02514731E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.98577656E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.77862774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18853796E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.32502144E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.56555533E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.51666463E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.86729740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20164704E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.91306950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17067173E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.53599621E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.51557269E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29351188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.70533949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.00829707E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.61744073E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "28": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13133295E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84821113E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94684600E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08653159E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15203336E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.56858271E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90835410E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32295369E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76650765E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76244611E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51192378E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23135321E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15795338E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12575248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98957771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23793780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77116095E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.76266012E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38794371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89134685E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59504975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84531811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83975704E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55612549E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32636300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65424637E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33270509E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21209696E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80965648E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76061546E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.50909017E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13761782E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84726900E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.45698898E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93233270E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.74863788E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39200223E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58326146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.75906926E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93291889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04061853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07536737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.62521016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87959990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43682299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94517675E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81163223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23027553E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30432841E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28110071E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.82426697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29144402E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77117128E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83956652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80150010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.85897895E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46691185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24563246E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10680795E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.28838308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41510581E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02363788E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.17247749E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.75054942E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.80443011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.51508374E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.91667774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49191649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.94392143E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.23943362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.52870080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.46026478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.43477379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.00215821E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "29": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06872119E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66744889E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32084685E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85372185E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05716588E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.15523541E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72125855E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46651318E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37594158E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58274777E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65963613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81341193E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94844089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01917036E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43721911E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94505890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61280846E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89318870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.91341383E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68150236E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48861735E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.26190684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44827667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38614399E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25949069E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47062924E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35907386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16236240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61592643E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71414234E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31646686E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.32844607E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10521881E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16751233E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16769364E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.64219102E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76669950E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75228814E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.56556241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33437593E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24649747E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18301059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.18409401E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15894716E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57034545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.54853508E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02107106E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30599794E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56750898E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36890801E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.55532041E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50526957E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.59241857E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20116462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97340960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.71565538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.90109836E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46352577E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21320102E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.78744029E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63636175E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11244573E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.67420791E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.95845548E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.77600324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84162367E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.96850736E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.83056920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.34652432E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.03069294E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.79443678E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.33935881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.87565614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.15320412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "30": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07593155E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72212271E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63858453E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02261612E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14351473E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58015421E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92983368E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50176886E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89529499E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84643855E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.01429466E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51577818E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31532927E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21208457E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.45998850E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49483438E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91466131E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05913265E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88244907E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20021039E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77849857E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.90913672E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42648814E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89471392E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51472192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66765942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63572624E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33872831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41048704E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04414989E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.39336047E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08946717E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43910723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.06956198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46129189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74194990E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22354877E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95720571E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.54050737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81922318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49489763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31302824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86363894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49744915E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73082185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26719830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28392657E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39952619E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88121713E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46876869E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01852954E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96503030E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13204871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.95718763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.33426173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15260581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84568111E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96207967E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47423241E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12946600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29856175E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40880452E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.46252175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.24797337E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01068672E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.31518803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06702579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.43432718E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.81375404E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.14128641E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.20146922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.78654579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.49186354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.38472241E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "31": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96089449E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44831720E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61552488E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65237057E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01712385E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20623898E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84428794E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41297024E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95307377E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90529584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.39666300E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72979768E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42518429E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26480781E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70024560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60443705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96990836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09120155E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09090649E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35830923E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89034268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07030753E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.00108724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22591019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71590896E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90966451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61458973E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87413182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04125769E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23405667E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59297069E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33812938E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09422688E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41733512E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74137088E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81743374E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.69292056E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50283993E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68571886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46628691E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38118144E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31883166E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24307375E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60221463E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44178031E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75991005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72010115E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66397680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59088832E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.82556004E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89847306E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18749622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.44560184E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31308059E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74935081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71362840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34399334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.85110343E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49998836E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76630535E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78040415E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31414477E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09574474E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.31207616E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22480280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.13113230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39235020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.90072500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.04131130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.49733170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.70975090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.18122790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.42526350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "32": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00653301E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58795422E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41614651E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02809507E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18621897E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95354821E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18392771E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00281015E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74371108E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29278607E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12808505E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65111021E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88553310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50131525E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.94974389E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27963357E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33911242E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29436321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20898126E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95951913E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22307777E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25502237E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01764419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78397160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02511406E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06110439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48212851E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33515093E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13079414E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30643062E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96655628E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88679730E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25057813E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71960290E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.67928160E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15315228E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.03753985E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.08978721E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95930546E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.81027836E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06808786E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67899686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43622490E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.64995950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99943429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05526181E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02937774E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46925847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01059196E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85077118E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80829013E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38690362E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.00377886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52301112E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.66744668E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.15302506E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56526170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.01195213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12025569E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09917493E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05570626E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.22133441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52826930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03879707E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41607460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.85872840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.68460600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.08270040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88572650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.82558490E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.20853750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.52867340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.29850410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "33": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00115508E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58411384E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51118879E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13773139E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27769747E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.57671019E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54374901E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18326795E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58488516E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68076037E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31031973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52903974E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32155388E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72529899E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.13798749E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92727302E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69728368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49216984E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28794948E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53466741E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53952188E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43043651E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.98826495E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33298452E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33589497E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23815991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55919721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88711802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39917947E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56551668E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34152350E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44580797E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43814585E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03056622E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64231339E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49574806E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03974177E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67768089E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23097254E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11341935E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73962472E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02860403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62247284E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65461989E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53759510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34664734E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18965094E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.34791674E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45230350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09406101E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73862323E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60183683E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.60418243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74788637E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64659826E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.62104908E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80125294E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.25291461E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78630940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45993056E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25268972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.30122308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13727739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31060278E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61450470E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.61650420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.99097520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.95325010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27299900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.12147240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.73316600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.01828780E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.21664880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "34": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91593101E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62169775E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89176751E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37340512E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40999323E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26665742E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88825184E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35034653E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.37195391E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04676530E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48546827E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.40208285E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76660030E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95394995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03146733E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53049132E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00772447E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65609510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.18101699E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02849306E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82504619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59845844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98132089E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82168403E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60970398E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39454081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.50176260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35849381E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63814063E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71081154E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75309494E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05936956E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.73316063E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36574648E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66184434E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85273973E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17994342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27857691E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50591044E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24587055E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.40482645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37325844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80608927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.64781233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07098484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63733412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35088575E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25167048E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.90391995E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30783230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69184458E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92909664E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.50957204E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08581489E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.11604116E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32554602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15761535E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11367515E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.80495566E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00791395E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53558403E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46980965E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83603244E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61867736E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.82069080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.40663550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.31218800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.04177410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.78907440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.26661920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.28396300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.72879080E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.17985960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "35": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00415163E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66835159E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16122790E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54871889E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52639226E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.93656921E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21216590E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49349131E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01983430E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35721480E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63924554E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.17116242E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.15362236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15100296E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13360198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07162395E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29979165E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81489395E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00423254E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49563078E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08070264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73917366E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.75798563E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25758346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86830634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54951182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.47947017E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84705396E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88856063E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93378600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15366937E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65842980E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99991800E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69431072E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65996047E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19973144E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31485999E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85166374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76669702E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37132015E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.03587068E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70147396E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98159804E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05994892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58469383E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92068966E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50996211E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16822317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36348190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52633693E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.67243501E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07164147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.89926605E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23008156E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.73759806E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61836295E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30405742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18973726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.20836310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23421738E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67913744E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.70266782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59929469E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95251173E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03504280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.23060310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.64874480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.26946570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.41662860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.41813420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.86135850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.57431470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.18848000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "36": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.80722628E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63969789E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.30612463E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74159549E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67601811E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77127691E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60917773E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67521319E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.84716204E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73282723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81147914E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98468478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.55336554E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35434426E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23954892E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.63242454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60035699E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97765289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09263619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96935037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34963478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89573982E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06813258E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79511323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19234244E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74262663E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.68140330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46194139E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19473481E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03764968E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67939166E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44893307E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16639883E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12188221E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.94980123E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64614471E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48758974E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58162901E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09679495E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52857063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.81568824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09922546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18965038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17020768E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16536132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23295894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68109317E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13485216E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84708060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75633980E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.70292298E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.33030445E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.60368013E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49060085E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08617705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.15265824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57287980E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33084094E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.96609746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64680991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90635777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.99546949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42127221E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30943434E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25785540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.08953850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00103330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.61765760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.18637850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.57614090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.46573240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.51236770E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.02428860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "37": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.73958229E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61676114E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16368028E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63865865E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60167190E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35046542E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41375779E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59124566E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49457109E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58708009E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75279641E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.75675702E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46648281E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32036001E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22563274E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57593134E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58035601E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97317822E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09373014E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97614010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35199848E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89225083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06247497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78753508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22568727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79245141E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25002079E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88806380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59275782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38239249E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84073663E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68561384E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08730430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11404763E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18459002E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23576209E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33474942E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55679260E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12623300E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10030292E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66370677E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.32930016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43848992E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69471822E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66470920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54749243E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43255355E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30762619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02822342E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79181379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04445875E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05989893E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42063058E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75166935E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38344281E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40500561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82981894E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51479598E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.85788837E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61377959E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.37076534E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77322450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20777746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72982528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86337217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48357570E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.78927332E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09748029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15861511E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16453489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.90598179E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08922669E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78357852E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37758178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49173420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.99500410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37518010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13732908E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.19801056E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.96040680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.69831621E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.74176540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.10246310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.13594133E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.44558010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.13498600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "38": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55372301E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56470515E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.95789436E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53612758E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54300054E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03610613E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25120967E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50916912E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.09560096E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39843202E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66285615E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31383055E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24351505E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20652991E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16548935E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.24148632E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38682170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85963785E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02837368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59664725E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12340456E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74818624E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65172924E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27821659E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92273323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59024547E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67209709E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59933247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40663492E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.11697936E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07010959E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63090233E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35951434E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86588338E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.30259222E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56698157E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16406523E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30806628E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71628020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89775088E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.30621836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.87584493E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90102122E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.68009307E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06438625E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70484835E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45106614E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79708604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21463384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28964235E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21706460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.37305209E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34638438E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74857191E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99516503E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55755002E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29961397E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15323828E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93562364E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.23516939E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09066953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34402971E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.37537132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18771441E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65372261E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.70330779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59365637E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42997343E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33601235E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.46617783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86748937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53901049E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.05239054E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.73579170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.94295830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.76892160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31750491E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.23414361E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38624800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27202100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.91478390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.77028640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.07981880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.13323090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.71360960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.25080540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "39": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.48880343E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54355230E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.82661415E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43478415E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46818402E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.59179703E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03201372E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41184889E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69031475E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23811123E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60059066E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07208760E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14623890E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16274453E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14480171E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15374620E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35645836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85207151E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02909322E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64579321E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17401891E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79035564E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.97054657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53616050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10982533E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71557009E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.28897869E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98860963E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63553881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09898413E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65831728E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88494081E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48330882E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71076500E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62632048E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85160803E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90181130E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52936102E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47128917E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18568575E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.50825927E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.41481861E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15689898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09538322E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72026532E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05258438E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63926791E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.88111617E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86595766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70890231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51020794E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.18872852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42116112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35291685E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11203579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54703962E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73898293E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34107904E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.78413353E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81826222E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.65850063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84704547E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34303151E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.75192723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.53830368E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91209284E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04735920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74902586E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14475028E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68071539E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.50346226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12630425E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94358547E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83555742E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81662103E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.99052660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09352310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.18366900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45867720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.13780050E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.39158832E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07281768E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.28418158E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.76139400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.09548960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.47090560E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29799520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.25386864E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.25835205E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.19450700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.37184540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.36519333E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.88397800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "40": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.39294069E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51328129E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71427083E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37774108E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42040122E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21592790E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80287718E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29756974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.16722660E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99839210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48753144E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52842236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88579174E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04213466E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09057128E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90480324E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23294126E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78452022E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89786678E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47883113E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08232732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73172665E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.44195762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30035571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98293120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62495294E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94041483E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90905393E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67472714E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23482899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30413099E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24525160E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68005294E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.37184502E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.68396861E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08208731E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.50751472E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71216448E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09315194E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42126199E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04859583E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.85167089E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36397299E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19838245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25122150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33453295E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79192293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69980454E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29947232E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93182201E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60798608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62340301E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60807028E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43474679E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16162779E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73036877E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83410529E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39284814E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.15814742E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91725742E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.02671948E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00966036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42232464E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.16275138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.76022175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03561382E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11718870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15155501E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38144371E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82221409E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.36531788E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66008152E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25525852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05205041E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.64519647E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.25443950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19650150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.61522460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63285940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02399187E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.36807069E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25481121E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.18270400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.28307150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.20005790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.46379060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.44824198E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.01300241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.71000800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.49766610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.46936917E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.15645630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "41": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.17834910E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45520647E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50711756E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30491081E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41404384E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38703773E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95737230E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38064612E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53275238E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15010847E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55181187E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80782634E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.00604611E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09113132E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10821116E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95534910E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24222045E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78410289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88010847E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47888627E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08072927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72837742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41934334E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29584485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97987320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61633465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.78927875E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73724928E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48056494E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20933198E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05408902E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17265366E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70744561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.20053149E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10342579E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37776084E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.28086721E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94339115E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87052910E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71242149E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16824435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.38139705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61266891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32081517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87545659E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66216071E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96732657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06470485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81394180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21745455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76787396E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.49434243E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07923154E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68393083E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27579823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24111220E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05697444E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48693879E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.51052159E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75735289E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46980817E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78015101E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31667518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63098684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48068136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88072472E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02736565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63503439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07910262E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64555685E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.45857954E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20175745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01929231E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34711011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10301204E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52801750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30341760E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.06485070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52701315E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.37430649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91072117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.36907100E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.47784120E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.95929630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60147040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.51410503E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.88657174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.62190600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.62839430E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.24395997E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.08132010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "42": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.97647920E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39995988E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29083825E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19804809E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34508362E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95878766E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74716553E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29413107E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17893660E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99485816E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48125723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48948161E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86111974E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02169032E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07331397E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77850191E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15299718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73712520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.58532388E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36880264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03567495E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70966176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24998043E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23965788E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96583949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64023573E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86859328E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73375966E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38273606E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21856526E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09518121E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16166758E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65394412E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07327488E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24962998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70175549E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.13240185E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19820339E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72605495E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03199789E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29918096E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.95950304E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88341611E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45392630E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55470125E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01957346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15954630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17077997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41327324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57065628E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98079165E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07103262E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.74287895E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02396414E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40226566E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78151377E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27999640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57539602E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.51052159E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75735289E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46980817E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78015101E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31667518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63098684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48068136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88072472E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02736565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63503439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07910262E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64555685E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.45857954E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20175745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01929231E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34711011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10301204E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.81005950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41375970E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.52887110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81106029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.52515500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33727868E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.79092900E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.67905540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.74444150E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.76797800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17046736E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.68264253E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.22754800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.76368750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.19422842E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.73140930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "43": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96248061E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39064156E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22079709E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15380620E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32025444E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81514358E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66002779E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24868500E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99038202E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92835142E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45775577E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39141597E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81646745E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00350331E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06742079E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76650965E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15395310E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73845692E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55449571E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36024973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03475748E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71373252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.34476936E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33563567E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03532684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66325251E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02083266E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79840149E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29515729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24313575E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26077215E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22834841E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64995440E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02402613E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41065723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06188313E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08554268E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48466517E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.68827920E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39052808E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44545138E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60200974E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18272005E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60026948E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29731709E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40807361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36752533E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29989204E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29755039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25180366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50580931E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37533845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38313311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82848841E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69682265E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.11250696E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80728081E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76572426E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.98450029E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38268635E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.67959251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.70580828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74916219E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.81350571E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.63531997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51635024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38673054E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68862540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.27066941E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.33826012E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24018901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.39237800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.19853010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53843621E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.95166555E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.10084710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52764100E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.00782360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91277213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.81936146E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.36464188E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.88214000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.88685540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.05559940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.97015390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.35722453E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.35279769E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.45093240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.90361390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.45784268E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.15261420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "44": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67995959E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29382300E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75456770E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89899329E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17093236E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95936475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18461459E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94937078E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.68030284E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26815862E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12867413E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75447910E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00497951E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60545129E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76429266E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89193671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79562947E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64120558E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00361133E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40557464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07542606E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54969772E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59675967E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89415316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01321649E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54064429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95698644E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07759711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75886478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94873639E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14046375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17039851E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37085595E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.83428848E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55294950E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38516943E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.94803460E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74423602E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.55725794E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71274861E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57632983E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.17564463E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45015622E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73137029E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96461003E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.75754209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55409041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39087499E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.71842841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44632521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63303987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48086140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.04670229E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.17805734E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86744880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.75225638E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02796064E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83984361E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.70641691E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31173300E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.42640720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59780655E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69695262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.53411826E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47998692E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42571020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33144253E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.36227453E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.07328349E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21509541E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16705037E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.95593892E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93720576E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39001633E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.18087625E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.40185740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64563700E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.50591270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.39042326E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.90437153E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23510964E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07837000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.10213140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.13990580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.61790024E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.41752884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.80584300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.04855950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.18648429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.95494800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "45": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.65528664E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29015135E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75307298E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90148746E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17384456E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98313075E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20139402E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00564315E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73961199E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29665635E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14204953E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82148220E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03773655E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62031398E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83118319E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92226094E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81012736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65038138E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01200509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41489690E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11024043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59155868E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60465660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.95972016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08590376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59962537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96246820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08541693E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81788139E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95298949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17330737E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28113903E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41570950E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07887173E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72049534E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76638327E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96687313E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05158979E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05856934E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09162479E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72872147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.83639928E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75485884E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87933624E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.71315494E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.14855091E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76304220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49693488E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22783493E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64019333E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65254785E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46018892E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.88359197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10990739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81427808E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46996856E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93033944E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81657233E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.32362702E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46217102E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.93421762E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80144277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78708063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.95182215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.68173642E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52467594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38031774E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.62316562E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20831250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27692242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19134854E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.00744084E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90585746E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34223627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.80303882E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.71174420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76721710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.01903700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72353261E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02594380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.73889855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24630000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.32405170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.22686630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.85263469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.38120578E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.12706900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.19816180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.36747079E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.55823600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "46": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51812592E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25312129E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.62674848E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85501661E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15534880E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90874551E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17267560E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94069531E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69022637E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27618592E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13377650E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78544068E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02032095E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61177183E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79174094E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90499196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80040394E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63940376E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96487026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30808423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06321205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56797833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57773802E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91160850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08221670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61998698E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97763589E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08906546E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77993974E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78806570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19297678E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37702384E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46424189E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15301095E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85634615E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07999144E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08063449E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30334336E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14221656E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39871976E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85232935E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37377002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00327119E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99987929E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03195143E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46198273E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92773111E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59382173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.86034458E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.12111954E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04772554E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70254077E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.19914931E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74215051E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05181526E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.47558038E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31372377E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95020699E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.24551095E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44336371E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87409461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77945519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.77897492E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.92667875E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67798703E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52679553E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38266702E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.63647435E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21421514E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27993188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19299190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01255077E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90324739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33772176E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77825219E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.03546690E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89460220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.56047090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.86610434E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06563510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.72280095E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24093400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.55526930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.31790160E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.04666180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.13684776E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.37894930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.35394060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.51283301E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.04277640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "47": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48891523E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24801230E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.62438887E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86055954E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15965255E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92939899E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18198792E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.98411680E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70679206E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27890856E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13124763E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75332969E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99877414E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60172857E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.75654182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89165391E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78852819E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62443801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86086937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28069484E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07799824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58644148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60577541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.87584049E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05999232E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62654553E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99713269E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09599752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77593340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64375865E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19962261E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43939092E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50202023E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26556837E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06382482E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56349994E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21179486E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70275223E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27626808E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89244671E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05072673E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.23331049E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39936297E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19206288E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12911766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.96947967E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20001156E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73503427E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.58240254E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47117471E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20131958E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79090024E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74489090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.04624400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14257417E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.83290668E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45900405E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00794840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15052764E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00301320E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08201828E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.58361687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14992839E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07795136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.64961893E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05863444E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68196766E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.33928624E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.20513639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86083816E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52523078E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.87359839E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92251598E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87141456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.33940475E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.36413070E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.02368430E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.10660210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.33094125E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27994082E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.71950493E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.57316830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.79103920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.41051960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.35526355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.62426587E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.87475520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.51319550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.73565663E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.78552200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "48": { + "references": [ + "dyall2007a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20023173E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17441096E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.38458457E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77325105E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12639702E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80055304E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12972215E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.75883209E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60704465E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23605243E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11376057E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.67999973E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96231491E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58052044E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63725283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83889756E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77785149E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63296054E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.85753247E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18810565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97675034E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52557376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55860220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.72812221E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99805963E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60179992E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01320778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10757231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83219975E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32796825E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18064947E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73965776E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77203739E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38506049E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29325518E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.10539203E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35914491E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14974331E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42545570E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43782949E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26810004E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01681761E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82736834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39834541E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23259002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50417353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48314679E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88440827E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03743216E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88581814E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38132404E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85942001E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96850609E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13279905E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16102745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.85419757E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46412681E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01364746E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38458253E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57970380E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28115651E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.40216858E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52604275E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26564966E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63821936E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.60303345E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99217794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11269890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25547521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48041742E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88236338E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.88473488E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.02544664E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44708899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10682149E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.70364850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15731280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.67190470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.63131702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40791020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.29555127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76518400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.03439200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.50617950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.63745469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.95665443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.31888500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.67751210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.95264687E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.50882300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "49": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.15588245E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16045574E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33477450E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75473708E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11752317E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75031204E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10031399E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.58683237E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50823159E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18110960E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08447170E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53038708E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88744113E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54276410E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45133951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76109691E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75869671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63645634E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.98331809E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17344602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89196819E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49764133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54309278E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01226513E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35325824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83725065E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20812109E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23484177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.64108187E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82023340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46951339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.27042078E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51420024E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14285261E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10703479E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39835192E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12827356E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32812540E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.24543567E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14156932E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28026580E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56784261E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56979056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24621086E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29312238E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28629638E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76154495E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62510513E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.33583798E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96794314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63502866E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.11368009E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07673330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75164607E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44337869E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.33302406E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38865368E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48397466E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35997650E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69840652E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62905241E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17442205E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48416435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22726937E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89889986E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44741769E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56912295E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09825860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26442772E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26477037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12674685E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98695627E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17753145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16612944E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22156071E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41625730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84820517E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.26727498E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.56172340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83190220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.22085400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00472350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70975610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.03282350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.20819160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.42676730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.34036840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "50": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96795500E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11119522E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16696365E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69225712E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09392608E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66481899E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07119015E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49506494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48270474E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17399110E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08086310E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49968365E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86206988E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52365581E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30254969E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.63322519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65118336E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57309286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04467316E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13295895E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47433517E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70077218E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58933254E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.77317714E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01995245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71106157E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27068593E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34243415E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51652042E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50622525E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85093891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.21194301E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43489075E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.35240669E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.93626260E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66826171E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.00364173E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62508245E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36979134E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58154675E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45827428E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32551995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.90565733E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40227219E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.05148797E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66566945E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95574797E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06434677E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88793257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27612146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80870206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00907428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63112444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05778465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60852839E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22049370E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79623210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74936279E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77264302E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37443498E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81464427E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61331704E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63137076E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82315856E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17168340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58413900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.29945687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.50715619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50183081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40479225E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96553731E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.49050650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47535735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34007678E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.21422907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95454416E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15733668E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83341652E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.25231200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12818070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.55201800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.99547860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51527680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.37232760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.38464500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.57815540E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.63459270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "51": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96183736E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11770846E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24859422E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75776115E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14329604E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99844720E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27945882E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07192363E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17368532E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55332333E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28692474E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.62033548E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47390862E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85796473E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01284262E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63772738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21324445E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88100672E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14093315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08796491E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44689041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77199249E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72432481E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08915047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01556281E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51396529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78364080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60957886E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89378396E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16431948E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23007258E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11345555E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35543852E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46221985E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01575242E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73713577E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29076973E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74815689E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.81812873E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74972535E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52932859E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.63693278E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05255930E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47582981E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.42560194E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86085028E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05997565E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12083771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.19960605E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45050581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90776728E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06780077E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.98157113E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27450729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73958628E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.00011195E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19048142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98678088E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07208894E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01806964E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02828772E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.13345512E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80825272E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.54321537E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49975947E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74617448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.14523329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.96621556E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75900582E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55087396E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.80992657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.98159467E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75855835E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50373012E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.18803797E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61537144E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61884581E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08787865E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.03496760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.44815710E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.95627000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.50108840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76260620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.71690130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.56501180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.82470610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.93676480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "52": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64921967E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03542260E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98011284E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66692233E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11057307E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87189939E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23301043E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05935164E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17247054E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57889872E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30739978E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74230971E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54575394E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90220278E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03868905E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76133414E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24520201E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86056671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16255975E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75677524E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02273345E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06791292E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82195171E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10037387E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.72631348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36188584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98886509E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81337912E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01746450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.00002959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67445531E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33179820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.37403776E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36474997E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00682219E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73666052E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.33201925E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76752445E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89387210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77871882E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53797598E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66109925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05449776E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47228205E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40299262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85482156E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06264274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12714149E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26637153E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50578629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94713640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09734793E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.18387767E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41397530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83771080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.67533600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63236006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22726041E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03408124E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64368215E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26643760E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71896131E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00761489E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.34712110E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86075576E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92186315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00516991E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.45435516E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03152607E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70557763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.70334581E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.50009364E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05625000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67393921E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.17817885E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.31938197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14870464E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31570142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.94340740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79719200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14495060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.15526450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09779310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.06793730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.74990320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.23230650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.24762180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "53": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75365422E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06052271E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.04966800E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68476767E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11295770E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85414028E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20826551E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03787647E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02023587E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49017141E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26462518E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56464598E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47778727E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87838395E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03424435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81260331E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34671847E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00232310E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33637605E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86420817E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54897239E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37188981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02948805E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25764128E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92589996E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99285613E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04826068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83146114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05865773E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59420261E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96538666E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50008039E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26099076E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44372215E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03169623E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82766903E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65131734E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87398191E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02689658E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92117613E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59550559E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.90789337E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16803140E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52745737E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.68260494E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00298566E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14421578E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17291115E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52493038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65241026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03134259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14805683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48843926E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.60113357E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95898028E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04660173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15039002E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50180625E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17406775E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.31584035E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45319443E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15612266E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15091401E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.91788278E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11843081E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04852930E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07114742E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.81282220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23298023E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82144132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03853878E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.90439528E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29322752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81477002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00379286E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.05033104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.72516891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55800800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.02111280E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.18008440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30446710E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.88274980E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50201210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.42632440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.93971140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.73129560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.56761180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "54": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59319702E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01918471E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.91309608E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63380369E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09275933E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77350472E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17435726E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02200669E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94008883E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44884159E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24332346E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.45528007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42234753E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85153999E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02289931E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77979942E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34913890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01130530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32253635E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80314465E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55872930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39231809E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03080521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26921523E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.95474085E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99886482E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07079790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88151538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10615171E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82742939E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11565390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59906614E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.84762919E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39431194E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01937765E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77691569E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46774034E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81825550E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00908058E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85988085E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57325284E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81865918E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12812676E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50844345E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.58874581E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95642406E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12254704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16479160E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50731143E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66003409E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04705152E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16487329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61504258E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68472204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02720171E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09803359E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56044183E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72967227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29675711E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.93397399E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72820379E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82428024E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37700822E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.82865401E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.52809791E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24862765E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17497255E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.37438987E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54706631E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99927697E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14032726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.48690963E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.62270352E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99926928E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10444484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.77357405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31726720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80473748E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.31702510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.59951250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47483460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.65710450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.99535370E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.79265480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.13466970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.28683850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.89681950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "55": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56993653E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01329763E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89490825E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62818427E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09176973E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78066202E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18788502E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03644245E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06504519E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54283605E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30750958E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.87051031E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68664105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01751573E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12364489E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.36761841E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68554501E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21358153E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47666159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.79743498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11112535E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69439838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20416984E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36050968E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47558947E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35510643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44998085E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14952350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26264554E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35447353E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59597528E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01632698E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14255913E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79936092E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02464378E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72632246E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55162290E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59845667E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72484823E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00206142E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88343271E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90482495E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.68756552E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52821479E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02608753E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45271353E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05102520E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.93565201E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01843599E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62227958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40740221E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72421037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28742650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37858349E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34356420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.61555768E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26052399E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34967096E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28568380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.71272513E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44562252E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76153140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81000899E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55718128E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35152640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33829068E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29297222E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99798311E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.49098284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60745579E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07862419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.97551909E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47545482E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29685204E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.05580384E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94211916E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23268877E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28064163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.34054186E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.14647563E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30931791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26088236E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.17315850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62108299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64734010E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47572050E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09443300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.07128050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.66355340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.72859538E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.62726953E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.37353060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.63788426E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.17128510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.33913650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.26417444E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.37204190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.23798120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "56": { + "references": [ + "dyall2009a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37388272E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94803054E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56010377E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43108156E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70052389E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05477165E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76574757E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96159014E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70714970E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77608678E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72900250E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39649085E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27436474E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21306588E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68408586E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79284833E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20232947E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30598997E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.55478998E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02855058E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77113332E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14399177E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32899589E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11487611E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92386061E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86621500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66009593E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.82460306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31575024E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97097994E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62744353E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28253466E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96451982E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20441521E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21986203E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76392045E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28775538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18716361E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.49360489E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12063562E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50723715E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85188035E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15717007E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99845658E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28785472E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10212147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54593889E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89299348E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55226694E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.52515843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76061379E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69877687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55613760E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.00000632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07854833E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80450113E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53992176E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.24328218E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32584646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29937224E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22668999E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.69637262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48021633E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83032925E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.52782065E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41452622E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.45103332E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92184426E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20459007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.54334768E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75208829E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43921158E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.81527999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.36160528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46941403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41722578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.14661766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.63030042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59880677E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43361915E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.25638725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16190815E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.49088560E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.91892247E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28760940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.57563270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86323070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.82214488E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.25376961E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65965840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00671117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.56025770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.55101100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.24537575E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.82686890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17713152E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.58858340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "57": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.38998857E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96337221E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69226432E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52858527E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03669288E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46501664E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00209131E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26181441E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.41086387E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15749900E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08180498E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54969995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90906580E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55667052E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.49798892E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72637459E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66980574E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52062663E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86817927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23988840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11948997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85595235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14550755E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01390252E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12738849E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56414745E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56261767E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93692194E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18124443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96051752E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64867359E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86312821E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14856828E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74651440E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44326981E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99140653E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99361983E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40264729E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.21679433E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37257608E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.41080675E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19366673E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29572257E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60107616E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56542966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23556397E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.20986970E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23315199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73029213E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.47082207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24982096E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93706244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68396031E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.86038858E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.77201935E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27278492E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84266012E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.98818466E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30213175E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77886313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38263156E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.77445541E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.47548548E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29364576E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15164161E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50637213E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.28548296E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19339751E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.08358071E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19170211E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08148438E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08577104E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.87678673E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25061397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82613230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03591357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84883098E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.24036936E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.77272797E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.36617435E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54881153E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.12725709E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.54659531E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.04169007E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50708860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.10166440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07184520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.82810270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.80877920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.93167970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.21761470E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.57755720E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.96060720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.77154760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.56054600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.84954380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.30103160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.89164900E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.94917330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.69562370E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.28899900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "58": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36868185E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95900903E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70068067E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54724043E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05309344E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.57815641E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07368775E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.68976906E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65975834E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30004393E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16185700E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98665538E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.14070504E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67647333E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.10379081E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02540278E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81331473E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58051043E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.17080263E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43988557E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30158693E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03434264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29082642E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.98930370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60448998E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79405101E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66457474E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65597449E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44724607E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08431279E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70919037E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.59556248E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03406805E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68781766E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42080462E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03451889E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.14331933E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45157889E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38230725E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43089256E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62586138E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27677882E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32933794E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.74489802E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63063987E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26646214E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.36139642E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.31016624E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77108392E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69600260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37659387E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00047149E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70964981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.88498625E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73120516E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.25595868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85207285E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03078897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60803363E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05995015E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66232136E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.30267972E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25364729E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18724141E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11596274E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64871185E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.62375551E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30533666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.52790198E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.39008042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17757460E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13502026E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.14004489E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39512170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90734950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08185308E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.10664823E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38363550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84969963E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.75632902E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.71433689E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19209937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.78343617E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11833012E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.43946028E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53682830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.57885750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.14016896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.57090371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.17887529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.31368967E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26695424E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17381242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.88960333E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.81095571E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21082583E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.21566095E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.43139080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.42945410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.79989840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.83737340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.52559460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.31866190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.54283050E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.26586090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.56641920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "59": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34237376E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95070878E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66243340E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52644534E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04073394E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50451921E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03049471E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.44061102E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51254342E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21035072E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10776516E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.67414898E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96818262E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58416059E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61660344E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76907502E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68183804E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53413922E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.08613195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59691340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56726059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20633200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37641837E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29065480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72027772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77607813E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61214984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.43364986E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25421374E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04936191E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79044003E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25192739E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93171359E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59420940E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35606014E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11413775E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.40107010E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53206883E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65143605E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52656957E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.98505473E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41662066E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38538038E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97753984E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73171696E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31281230E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58510996E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42217201E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82845797E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99479071E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53278149E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07977502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75112210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00843199E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81367347E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29179925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85636091E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01545002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48045604E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97555707E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61618968E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.17214154E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19914992E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14605102E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08640149E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79003126E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.95860546E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41569058E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.96450214E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.58454304E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27159257E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18315010E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.39707830E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.53599687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98640816E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12637048E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.35436267E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.52011148E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92217780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01185299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.86332688E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24781188E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97390282E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17392956E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.14879966E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43097544E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.10938223E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.89505833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43798055E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.41751406E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.84976925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97998213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.95089377E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.80748040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19380746E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.98445127E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67946441E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.40820940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.75920550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.90536520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.07090540E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.57982810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.16524230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.51223410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.12586110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.65616830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.40083250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "60": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.32552605E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94762794E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66516819E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53661350E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05114127E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58321373E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08259965E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.75797810E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69781660E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31686265E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16972425E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04295803E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19093371E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71844867E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41883992E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24449117E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95897692E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67501422E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.76126955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80264698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52347848E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17563009E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37856255E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51600496E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98440108E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99995407E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77350541E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01613756E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80249088E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35593337E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91722193E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.38658659E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06871809E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67221328E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39508587E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22553650E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78209036E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65695640E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07216275E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67485879E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53203851E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62783143E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47081593E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33940050E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89224478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38727169E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94507705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.60317157E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92281765E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05031483E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81379441E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23874055E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84432287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06396986E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13666342E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47823917E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96649594E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08319115E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87327768E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19442159E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73429214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.60164451E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40832853E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23938536E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12626484E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93791058E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.30877556E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53091903E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04193278E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78663762E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36905481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23290769E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.66212230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68098093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06760181E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17195981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.60667362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.65796158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99466133E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04764266E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00722250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29960232E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01400143E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21675825E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.48298833E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54618043E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.60329020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.13510498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56096515E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.07275763E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.20357707E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16881577E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09345695E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.29810629E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.42477882E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.95865961E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.09005970E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.17466210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.04562670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.92587790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.36162650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.46121260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.00968540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.82116300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.89755700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.04447430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.91422800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "61": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.25116734E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92946457E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.61473507E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52562496E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05254340E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.62430770E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12071416E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00344239E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87889951E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42826607E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23459899E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.39985385E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37824658E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81447349E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91112966E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49982960E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09291967E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74582101E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01101170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93971517E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53787453E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18567492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37981826E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58169193E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.97850715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03665383E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82254418E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06338128E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08008948E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48565096E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95975330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.66329599E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14060283E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69972186E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40836999E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33873907E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02053008E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80063625E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.57293850E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85648505E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02187449E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89785050E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58126619E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81179256E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10440264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48729236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43781359E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85511700E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05528804E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12144350E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.20233790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45443859E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96542130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13345092E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53271876E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68387540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06611424E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12293883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00997960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21981275E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72132480E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.39444299E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27623775E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18164022E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10594813E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08637092E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.65925533E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64579055E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08711888E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.98683830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46534045E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28193813E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.92260020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.82303456E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14696020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21633059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.85058484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.79029024E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06355057E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08121323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.13838019E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34453985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02724168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.24487713E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.80038834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65525830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.07051927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.36148720E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67686574E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.68870166E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.53458221E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.34434986E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18413223E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.74583340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.63283700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08238255E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.44977030E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.93735160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.32463160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.08958520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.16389600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60845350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.63025670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.03632340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.93459830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.44271110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.37859210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "62": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05536187E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87603148E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.42256438E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44711702E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01766682E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46524826E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04563799E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.66343093E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.68660508E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32533809E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17875732E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09634716E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21350120E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72538153E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.43431453E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24825070E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96364907E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69076987E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89715104E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91322186E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62699022E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31918993E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48718039E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23230903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39610758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23968118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90524125E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06606175E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97310199E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36233828E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88705549E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01254146E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25424265E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75412170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43604621E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36637174E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04223286E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88708650E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89839363E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98000244E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06997695E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09091668E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66132492E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15643670E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.25914403E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55982846E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79183240E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03423456E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18472255E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21147934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57561055E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51951704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93021852E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07958144E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.19329214E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52142573E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00981206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12379052E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10174933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30377701E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77458165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.53613005E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34448338E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21316161E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12048940E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23579643E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.01017627E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76023877E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13193863E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18471476E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56029751E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33027914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.17976966E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.96355652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22559921E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26024684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.09060400E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.91964018E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13028847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11334477E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.26100692E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38474225E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03806204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.26186142E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.10544482E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75974771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.51762863E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.57757637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78743796E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.27538217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.84868686E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.51003933E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26909055E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.16148904E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.82363262E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16055907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.77008711E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.07127860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.60112830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.18363810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.54268800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.64647920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.27481170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.26241820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.97858270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.81035040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.80452840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "63": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.04536945E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87528879E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.43286128E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45907747E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02755002E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53295555E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08987292E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94257425E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85778849E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42770950E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23896937E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44527907E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41295977E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83805768E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00640967E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59648351E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15275422E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77946286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03013588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05807823E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63437435E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33566135E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51616354E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49855296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50783739E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32632050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98310527E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17132679E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.50880725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62759006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97536093E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14167354E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60525952E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88642771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48548334E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46748163E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07847377E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00902630E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.32254014E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13386338E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12804738E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31824460E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75379992E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.54874641E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43337722E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64093020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.18618601E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23336121E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25240352E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22687963E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.77775824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77230672E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14419617E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23452175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10093835E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00977614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25343784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23142717E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61400299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54173004E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88096940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96649542E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56286690E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31558825E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16525673E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38773408E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.36884842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87744548E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17791141E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.38810227E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65801461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37993170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.44246146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10604738E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30476188E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30414502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.32856079E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.04667799E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19509953E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14409299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37522081E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42019200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04645040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.26793481E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.40487047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86209096E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.95536905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.78882325E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89550557E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.84813991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.15439118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67051797E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35078341E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.55724650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00279486E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.23267685E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.06025983E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.13609610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.86901990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.28127440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.34114210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.52408660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.38091460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.26252320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.05083250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.10756950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.15485550E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "64": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.92315982E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84301466E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32340646E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41829105E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01143572E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46835276E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06587244E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.87578144E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85644345E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44249634E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25253764E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53763176E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47104795E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87355408E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02736062E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71513274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21848881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82064831E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05292556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.16445856E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64882224E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31195027E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50428823E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.68288785E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76688763E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53518591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11497146E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21629687E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.94260763E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93600985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18819862E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24892422E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32497369E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26864846E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67813888E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57729429E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12679127E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18411949E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.95659119E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36900234E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21817400E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67582504E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90080493E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.17768103E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71454021E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77228306E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82546121E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55643108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42103457E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31729952E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.27502198E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05293617E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30774027E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33577500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.75309156E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39829275E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48592583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36514367E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40835737E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99645118E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13185721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00634421E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.03850539E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51417145E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24784606E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.53772963E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.72155032E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99209543E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22263907E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.58478339E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75193370E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42750766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.69439759E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.24306235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38108249E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34639066E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.55589688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.16724535E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25600303E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17253939E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.47735370E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44956463E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05201091E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.26223887E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.44037974E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21828475E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.48497702E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.53985008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.28729579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19804639E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.35729363E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.35147098E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73452365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.66763160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.10707563E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.74962001E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.45340593E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.23566930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.24876380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.42713530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.99425110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.39818590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.95056770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.45644050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.00971440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.10142760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.52706910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "9.02198450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "65": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90517361E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83782720E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30356496E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40983433E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00811470E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45868180E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06407921E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86816119E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84763647E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43611218E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25007048E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.54012394E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48563431E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89072961E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04279524E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83907145E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31294551E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89050169E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10425750E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53739040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91851981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46934552E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57577045E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.92590670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86466774E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57135184E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13096632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21748538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.92460774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92365368E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18978012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15847338E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91066123E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03635995E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55383871E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60304982E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13731035E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22104631E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00887796E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41824340E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23721392E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.75223547E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93243952E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31217218E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77354529E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79920630E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95386443E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.62011161E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45364832E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33447116E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.36454988E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09935137E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33395730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34665638E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.75926508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.37996584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45202522E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32665534E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.05515140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73464734E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96868678E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.31637883E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67582851E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34780595E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17552688E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68918925E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.07518415E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.10664326E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26726075E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.78102022E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84567162E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47496398E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.94518037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.37907357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45665959E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38807775E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.77870375E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28433732E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31434320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19921016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56975931E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47395592E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05523627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.24671803E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.98586582E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.05983842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.79967030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19499231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.10291182E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09440811E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.73586018E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.97329923E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50324867E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.28580045E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.32651337E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35974023E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.55805216E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.28899850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.41968320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.46645000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.87717310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.38905860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.60432820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.67913920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.01969180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.15891820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.88157910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.62920230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "66": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79156344E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80830628E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20729665E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37633910E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96428607E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.41939164E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05208457E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.83904612E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84553838E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44004054E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25416819E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56796742E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49996422E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89671893E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04558053E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86046571E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33395956E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91651704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12674951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73674525E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10669032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63734333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69204503E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05595498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.24365524E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74291839E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20091324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27628771E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08442038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94218338E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14205077E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18507119E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86714187E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01294814E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54914836E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64276508E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16096411E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.31386476E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04405645E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55317361E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29032914E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96717389E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02184689E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.69586711E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94447278E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87856908E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.33806064E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81351553E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55434830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38841253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65956444E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26676877E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43432485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41047249E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19294769E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67183831E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65089333E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46617030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.92570590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22748401E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22586055E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03917997E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22833837E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57342760E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25649835E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84394496E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.43723536E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22352098E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31250665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.97874750E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93968352E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52242700E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.19560064E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51472391E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53188947E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42940139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.99791185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.39857745E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37066033E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22452173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.65506097E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49466436E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05666018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22317784E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.27472612E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15783292E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.21753216E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.39558189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20522253E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14835650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.02075974E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.12064364E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.57671245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.63207794E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.47733920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41724560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.77621267E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.36919950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.69687010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.55651340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.71396690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.36157860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.34572420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.95329110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.23509290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.20837870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.26361080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.86128190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "67": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77667669E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80417457E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.19346871E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37114298E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94389960E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.41111709E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04904478E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.83106717E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84723288E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44471063E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25881040E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60589949E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52891871E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91678466E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05740307E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91761800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35647914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92348594E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12751772E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73148076E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13959016E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65232849E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70805648E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06737497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.33499109E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80623627E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25644549E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30620736E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33550842E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10950932E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25617160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26872794E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23967928E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17633046E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61475504E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74357640E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19970801E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44997447E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09275640E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73275443E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35876130E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23684928E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13201122E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.16429435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.15266585E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97533734E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.80667746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.04872569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67597163E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45290707E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.00877809E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45961037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54562820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47754008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.61048627E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.92323268E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79859617E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54962570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.34878107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42810394E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31993431E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08372878E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42933187E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65293734E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28595100E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.99763530E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.79435069E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.33811694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35670492E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.17156124E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03127544E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56867474E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.43984450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.64723434E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60550882E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46981630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21117254E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.50888097E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42430074E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24798231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72993772E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50994765E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05553998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.18919638E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.56026239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25446002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.62906778E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.59277552E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.30565651E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20119357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.29864146E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.26357266E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64745369E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.96231747E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.61921346E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47022707E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.97247898E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.44860400E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.98053420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.65040200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.55076070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.33409850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.96413000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.16239010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.36025860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.25783920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.64895580E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "7.06497620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "68": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71333399E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78727898E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13278949E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34617116E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.83294629E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36222624E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02895613E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.75867439E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82679523E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44218587E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26120100E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.63796016E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55884554E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94184093E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07654205E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05032053E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44044807E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97389226E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15601036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88640453E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22383816E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76252611E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81357452E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14300008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79672675E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06093426E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38581602E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38266907E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.69437675E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28487416E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33713436E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24021370E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20252734E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16175868E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61198991E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.80402206E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22811143E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55607848E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13224383E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88180607E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41624213E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46729655E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22872274E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.58462733E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34145245E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06346286E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02349226E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.26436785E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78759456E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51197897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.32705602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63017549E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63564996E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52112445E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.77729873E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96835125E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78887215E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51628103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08246530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26949317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23767636E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03260346E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17905762E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56275708E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25874316E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.14952961E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01525733E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.45400322E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40148846E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.36669695E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12366086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61506529E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.68297732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.77802760E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67759678E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50904579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.41560034E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61280578E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47341038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26835508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.79009472E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51858403E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05162833E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.14468588E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.84469170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.35049384E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00376138E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.78825739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40513001E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25344462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.57257076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.40380405E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71637775E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.28093845E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.75412566E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51946816E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.14998987E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.53152010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.27543240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.74793530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.58546840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.34372820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.06317780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.39462650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.49507450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.29796650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "7.06079340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "7.26972430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "69": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70268559E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78535711E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13380210E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35183979E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89706032E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.41674498E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07103651E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00571828E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02647708E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56939731E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33947661E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10351702E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82664788E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09344506E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16403679E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57966386E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77482060E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18508371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28709286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66657488E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.63660232E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88677194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82286498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13947624E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74021482E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08820362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45243453E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46840903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22946134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60876483E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52456488E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19540777E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28761709E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22867634E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64634571E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.88822866E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26201092E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67800810E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17663663E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04973888E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48249634E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73548641E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33932526E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00551778E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54995394E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15975365E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06976160E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49542067E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.90717975E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57582711E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.67588491E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82294267E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74294977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57994999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07906447E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11798457E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85751694E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54301864E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19016955E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31025329E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25079425E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04555333E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23793761E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59320950E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27308118E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30228369E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05072905E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.56774243E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44537542E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.55806795E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.21431393E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66061396E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.92180411E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.90650758E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74831324E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54736240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.61348894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.71233636E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51965801E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28680322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84090920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52279591E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04574086E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09211249E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.12792324E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.44592217E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04431934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.98203710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50362429E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30507736E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.84225811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.54117108E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78342530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.58791331E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.88223973E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56512512E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.30980258E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.61158640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.55717170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.83926940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.03142790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.43112230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.12566040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.60686090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.61190130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.35933040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "7.44284520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "7.45324610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "70": { + "references": [ + "gomes2010a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.59734263E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75730416E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03686290E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31486156E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.74980009E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35723420E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04701994E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96542497E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99833159E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56634846E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34406993E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.15989286E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87535563E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13070575E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18989030E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74297692E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87242143E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24813973E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33621614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12811580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09398029E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22805262E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03946846E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25032437E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28744564E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32100011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52340515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41752404E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91574003E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.41984989E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43453707E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18784126E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17391392E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19226839E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64204955E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.91789211E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28380863E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76888450E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21236375E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19038497E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53895281E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.96788855E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43755729E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04821781E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74162682E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24896525E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11287885E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71147913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01896166E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63528402E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99890036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99948607E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83902754E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62940396E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.29736014E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.20744639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88885412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55272712E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27489135E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40336463E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33462795E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12690386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60052050E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73229184E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32117925E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45144166E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08521940E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67769543E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48746557E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.74028751E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30013118E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70355941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.14634240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.02710174E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81464464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58313543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.79574653E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.80219900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55974288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30121566E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.87266128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51861485E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03644487E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02739367E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.41088057E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54100266E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08466987E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.17449557E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.60131208E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35617366E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.10812219E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67586957E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84867432E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.88346999E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00359296E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60718765E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.45183506E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69299790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.84305730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.93167410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.66918250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.51293630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.20158600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.89458590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.80805950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.35228250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "7.82630300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "7.65242530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "71": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.58240610E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75274031E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01674725E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30410503E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.68572979E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32074584E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02816657E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.87299130E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95080292E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54106797E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33234759E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.12384377E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87733611E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14384071E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20274329E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84344333E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94969405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31636937E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38755593E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.44554175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22484320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43645787E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20415795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36476689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.93798738E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73244353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76689840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59019676E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85949012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90505101E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62545571E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43590634E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22453400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72379732E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90911864E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.03530670E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33179260E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94405088E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27715669E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43639021E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63510537E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35512016E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59839925E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11727675E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.04936099E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39171512E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18176926E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.05643244E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19732741E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73006946E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.51565436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29172110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01282782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74023426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00408312E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.67729657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17890554E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71948078E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.15400541E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82832696E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51856845E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17813906E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78490000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83242422E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38007911E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59464491E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11842850E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78360075E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52801631E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.91594315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38284380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74492341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.36219318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.14265838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87788329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61691400E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.96465853E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.88322780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59392709E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31155833E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.88639155E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50729124E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02442299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95289346E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.59088469E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.94223289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25623137E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.01328014E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.03853914E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59487315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.45609087E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.43879578E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27757975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12391550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.23617060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18078013E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.08259551E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.57755720E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.86328560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.53462030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.22348060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.41297140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.42997060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29027310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.89164900E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.31505180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.34767690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.70314660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.41329870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.28899900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "8.58031690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.12553910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "72": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47809345E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72387455E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90491011E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25008893E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36173721E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10749588E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88326839E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91518258E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33765821E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15894817E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09739637E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69128016E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01085242E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62508910E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.95394994E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03983348E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90355038E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76319954E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12705251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18883517E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39231468E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72421836E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65056631E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.79694344E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69264784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27580439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78898180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01760706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.67979390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11903444E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59324148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07156157E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10779184E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08357474E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.19230290E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40403882E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21351654E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37737586E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81947646E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78593200E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96407595E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85210241E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22687891E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54127387E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62120707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29276419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61143479E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48338321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88145714E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03397689E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.74666123E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26124974E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87750408E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07620094E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04306766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36610190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81112325E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.67234667E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13140394E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69983288E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28013256E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24296454E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02888266E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46073835E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79329752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16328145E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92472058E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58204057E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.14975718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49239894E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79913097E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.64155853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.29088237E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.95881231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66084828E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.19428978E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00225446E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65284811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33960174E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.29085454E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81969971E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20542597E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.83547295E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.86053493E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37090970E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43925960E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.90049941E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.49717598E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83671102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.71187019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.01334924E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.45394274E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08768445E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.07579089E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49703590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.49860520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.03269340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.22415720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.51513870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.44370940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.28700547E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.60992645E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.21975600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.43052400E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.81134830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.28482405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.97935540E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "9.35318250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "73": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46385144E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71916595E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88214532E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23869723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31099859E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08823719E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87647550E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.88730822E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32192700E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14669285E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08634210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59608167E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93735610E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57266245E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58892974E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78700858E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75744481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69644659E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12619616E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23711811E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23258981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65784338E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62117991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.74288796E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69276856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29667556E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91103368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12477953E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.36222297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62301733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66672325E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67249502E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43398765E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24035067E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24198487E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42853500E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31271182E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41630092E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97328186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84880539E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23019947E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96640239E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27643852E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76082521E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72231461E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34165997E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.85970856E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61453081E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95273960E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07353356E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97242734E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39134522E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95292677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12013657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29264213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51302307E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90272035E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02035646E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42902096E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84977375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34193668E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50965584E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16364891E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52903935E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.04097355E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22218895E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11633386E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65598548E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.47180486E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64595958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87729409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00594304E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52136661E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08857660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73431087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.60733626E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.23559956E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78559585E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41349213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.79755650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12990645E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37174441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.62470701E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08692115E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.70925027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.58358121E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.59840923E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.86126124E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03372624E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08120567E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.62620014E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.78973557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26379058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.91405599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84086491E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.89610290E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.20235480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.91606910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.80884600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.65976290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.80763241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.20686438E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.04856900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.54760730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.28350230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.40580214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.42152260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.01408740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "74": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41372745E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70676239E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84546864E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22740488E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.27359438E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07264037E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86767317E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.82681628E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28122025E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12317815E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07506464E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55006857E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92012927E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56557310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.54939856E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75289223E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68978522E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58942199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02971268E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22766505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49945109E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84325700E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73749870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03301075E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09437248E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55925540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99918320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13334515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32945379E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48000102E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87397350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.54574252E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84357289E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42804035E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.36094395E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48550092E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53588143E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50330664E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.31806678E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98791315E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80229694E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20804960E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38191825E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23715198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94450834E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44864168E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.39150629E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88724659E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09666977E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15188986E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.40547159E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63032231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08852715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19652423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.71375076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75569321E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04595084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10245970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.86443306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06579908E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44142573E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.95323016E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35333840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60492793E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39800429E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30823775E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.39464363E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76270432E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.93400108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86547755E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98863476E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06528812E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84792814E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.27170244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83830156E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01996550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.57171057E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97842224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52348741E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.44648139E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48699293E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55118230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.43635589E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17940585E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.01800933E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71509473E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.23259468E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19197084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21283215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18143991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.18853456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.10192825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43032657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.71994826E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17567918E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.27556430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.37296360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.61303640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.10576520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.86903850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.12478072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.78962199E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.27680310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.66630280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.76386000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.49610921E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.86251730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.09425370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "75": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.36028633E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69211166E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79327757E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20737476E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.20435100E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05824118E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87351426E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93106918E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.37354538E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18809597E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11506835E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77793793E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04619328E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63713392E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98616139E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04532193E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91618915E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76953239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13500017E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36620560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53947054E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85766052E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75707275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05101493E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29680708E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72339577E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12304797E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22985635E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02834389E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95258204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17361976E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08733440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42192519E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67534923E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41608341E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51650488E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66703689E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55673075E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53393319E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07656365E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.17799481E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37127418E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45426248E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56633903E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09936984E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52415919E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77307182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.08612842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20290354E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21001493E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.72941507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81465845E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19739060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26146579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.08485729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.96333850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14367013E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15270703E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09972800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16651397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48380126E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10460759E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41791145E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63550016E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.67987485E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37097742E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59177346E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83826808E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.26235074E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02044098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06608074E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10587964E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.06958938E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39771620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91156011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06284268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.82476449E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12815585E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60956285E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.95620267E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77174881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69925644E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.13823879E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26645950E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.30750569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83817495E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.82477403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.50048506E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38007411E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27521957E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.71793682E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.39925180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59124925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.51106107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50791806E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.65995110E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.54501420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.31698180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.40667270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.07666900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.26591377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.37831711E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.51429430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.78667990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.25253690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.57890715E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.31298180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.17581590E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "76": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.27221999E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66918880E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72028139E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18342021E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.12792117E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03641184E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87019000E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94551068E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38721066E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19182328E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11269124E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73701674E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01018953E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61221528E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84025233E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.97706971E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93011588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80415734E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15357738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.43265447E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81778922E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03255045E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86035003E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09877735E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56572971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89953178E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44984519E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30878036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.40867357E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17178130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15456465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08932993E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46445718E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70881936E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47024335E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55228728E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82071374E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61938280E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78839793E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18115205E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.61533413E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55822037E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53629973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93716264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27286781E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60842588E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19755048E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30712374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32132520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27531059E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09979172E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02761184E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32410972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33734912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53268971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.24122122E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33040187E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26404455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.73081100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50163385E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62500690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.71098627E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65801683E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72360098E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.10242833E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46926789E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.90513356E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95790443E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77879164E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.26431108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18872062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17055316E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.42192924E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59379388E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02250844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12610713E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.18544867E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.33714042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73046948E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.63411397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12974288E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87542667E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.92561923E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35104342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.58767055E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95701547E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.39517199E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.79708637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54080586E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36539352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.22901991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.68872492E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.74958291E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.29919873E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84174741E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10635820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.71884280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.00292440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.71210050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.28520820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.40679822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.98556465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.76683870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.90885060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.74984130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.06674087E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.78043260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.25880120E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "77": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26324567E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66683769E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70970969E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17734405E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09232390E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01717475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86246452E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94300936E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42430397E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24226154E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16155634E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13922679E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30775905E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81655419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01771939E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82774569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42589179E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08435403E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28971512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91277281E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61308928E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89620756E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84193836E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23195095E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26388789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25954637E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31315045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38631942E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.06184291E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66607005E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24109504E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16296220E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87342643E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90020584E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60878134E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61538923E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06771092E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71643431E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.17777869E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34059553E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.28003447E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84183296E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66143717E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50847642E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54133412E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73826058E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.84520694E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64035134E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49746302E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37100676E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.63264364E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32857641E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50170900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44179023E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.12489271E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59044682E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53894005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38832173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43806471E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88242182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77307459E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31780465E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88964320E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80726598E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46118937E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55205596E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.16732275E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05743489E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.20671223E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46581658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29002690E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22411109E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.71542035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75891436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11692410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18042585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.50058337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.52305319E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83944376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.24892165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45735151E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03904087E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.67050347E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43371089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.86065441E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07263528E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.94967757E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.08543122E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.69732644E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45335419E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.72925038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.97383438E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90676971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.09003268E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.17906800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24925000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.89474850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.07509810E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.02248550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.49565040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.54836379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.61895199E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.03909580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.03289540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.25602140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.17632329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.26883150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.34324500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "78": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23780991E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66101170E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69657852E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17560236E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09700186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02379219E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86860485E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98367864E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44127471E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24417803E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15809653E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.10199490E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28110684E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79879434E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00553543E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73943870E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35558927E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03441597E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26916346E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.93599935E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78037111E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97800051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82718019E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12496267E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95014290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.29354941E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56031568E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50060613E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.52083862E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65934749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28350455E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14291920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73908361E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86374375E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68475118E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65556990E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23595720E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78396405E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44821160E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45142111E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74756010E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04321956E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74914029E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89919404E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72285116E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82610784E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.28401321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86587287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61662685E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43583570E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99058471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.52340492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61019088E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50335031E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46913428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78451346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64002033E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43799995E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66201942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.97343035E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81310349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46979423E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95778151E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83812888E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.87829029E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64862299E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.47337733E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17369284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.70621535E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.70040554E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40735433E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28568499E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.05027244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94584677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22332444E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24157851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.85338484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.72968164E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95978613E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.91592559E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.80676651E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21093312E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.44133195E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51528666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.12934398E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18629243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04943932E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.36856800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.85118211E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53994937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.22346785E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.25721035E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.06404203E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.88825356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52154887E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39524670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.07293870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.14830210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.33814090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.70940250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69216767E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.29269249E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.34007410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.15890260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.77135820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.28755725E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.78806100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.42918360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "79": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20910315E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65310196E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.66662267E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16256884E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04288317E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.00471076E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86130196E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94010272E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.41168672E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22578678E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14666921E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02327271E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22502302E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76235066E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86388945E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69800040E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47439123E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18594432E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37253267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48620636E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.20683077E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29620450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05642268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23541844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56412170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.57399250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73964897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54586970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59898841E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58261513E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43087444E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21525733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08933079E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01852957E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75534848E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69124856E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37780684E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83968730E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.67012592E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54151575E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01221988E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20347350E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81966463E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.21744870E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.87039155E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89715089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.64237207E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.05420647E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71861289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49244771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31404628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71314825E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72291155E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56759018E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82986883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99104006E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75797960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50215220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.00999703E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16158973E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88571055E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.75551178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06338978E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87552747E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.30851950E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74834650E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.79121925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29550786E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02343767E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.95064363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53367053E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35256912E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.41664376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15100111E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34029736E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30901241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.24363075E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95914719E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09371900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06558558E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.19289443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39938364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02711578E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59845287E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.40236705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.30150329E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10448257E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.65359194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00551195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62652422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.71693770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.54074873E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.22208092E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.69655156E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.87002646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54458060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.25362840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.22261820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.65934380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.92701880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.83876516E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.02107371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.68090110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.28692540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.29603130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.40044975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.34742620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.51665360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "80": { + "references": [ + "dyall2004a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12672810E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63104578E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58888816E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13220619E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91576913E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94709159E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83403429E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.81695052E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36078259E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20557049E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13787944E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97929745E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20390326E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75583349E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.87771001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72914904E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45983627E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17661124E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38150167E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.60976047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17642828E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27058931E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05006734E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28231540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.94453938E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84298883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82567595E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64823182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.33379270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14392666E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72750013E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36139890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70072469E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25310648E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.77648167E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71497444E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49387110E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89096220E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89054219E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63613074E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05322443E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38376896E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90028453E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.58546381E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04292940E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98058712E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00587099E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.26819007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83167411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55388868E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65092619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89106075E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81439876E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61219915E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07431384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.14216020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85426268E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55398566E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26791395E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27275305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93685375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95217230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14865006E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91251986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.70427008E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83952175E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.07648139E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40175788E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06821536E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.15735362E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63556530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40542860E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.70184897E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31006183E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43066231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36062067E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.54288783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.13594247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19819426E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12352900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.49787443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55187128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09750380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78411369E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.01177648E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.56022619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22881251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.31199508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37344738E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84824523E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01483684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.53250722E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38191958E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05183783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.22555170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.69753240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.43682920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29806040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.98621820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.15045690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.99056248E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.83253203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.08197090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.41708550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.83042380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.51566351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.96388350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.60567750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "81": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08317392E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61959166E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55037393E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11756903E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85467326E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92058604E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82305138E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.77620999E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.34785315E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20245614E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13803407E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98934423E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21408009E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76558875E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00041468E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92250228E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75625842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38838929E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50798681E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.39234664E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64493482E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53503788E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17395792E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34404778E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30103217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08713322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95482347E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70648845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.63840443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41182154E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99435729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57107513E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.93730699E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80210667E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15248188E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44027116E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63861053E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23254424E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26461019E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.14050137E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16087264E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.37180882E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19075911E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93342449E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.21124918E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53235797E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30024376E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20160416E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44177221E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.53191800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97402907E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11586230E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33259168E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66558425E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11668615E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20234311E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.85494228E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86846732E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13766076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14047523E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85342232E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66929975E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19941873E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30750579E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32345763E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33382249E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14858642E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02145799E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.96204457E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73370770E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.27334951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20225805E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23348598E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22883081E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.91065721E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95818357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27419197E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29102701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.29900666E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.08902776E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23435634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18977792E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.38315155E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67838812E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97031244E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46000123E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.35358702E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.86621332E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.34716156E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60491225E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.29421286E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.46324615E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47514941E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38528611E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.73143104E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.26020945E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26950764E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12754633E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.34585170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84851434E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.18902868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.97006056E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.71719257E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.69419470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "82": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03920992E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60745089E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50560701E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09916723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.77129438E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87785537E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79897043E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.64376436E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28277909E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17378222E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12556188E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93460787E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19483673E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76553704E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00944437E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02343126E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77158135E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39375377E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50914233E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.33306502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51284790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44322020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13338228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33520758E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.66289355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38222437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99415411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87779630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14812985E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05688205E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82986806E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02009700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00757759E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76195404E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.36179420E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57385946E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27215669E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51651434E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38991546E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69167353E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40582831E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04783130E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69525107E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16748139E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03300162E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.08426049E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.58100535E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34861189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22977303E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.96091080E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21115343E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24885742E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09098696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10045433E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37014093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35190917E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72037399E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38640900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43723532E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30981319E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.79468534E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16722126E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47172940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66059717E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94523129E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47942422E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48210727E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12655416E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.36032112E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90442930E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.06947114E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59753456E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43838189E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33891512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.51614919E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.29820864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46927739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40562657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96399991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47266844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45146086E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29817645E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.64854429E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02082119E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14895975E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.54398069E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09185623E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.01386845E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98309666E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43055149E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.36521457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.94695785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17364859E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20272063E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.62387444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.57433130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83923557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.42424682E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.12384386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51904517E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.38274156E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.00850553E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.72401449E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.87148711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "83": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03279728E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60594003E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50023107E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09659438E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76143654E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87757098E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80294416E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.68441494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30762118E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18429093E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12934090E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95072040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20148524E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76415906E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00160154E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95642414E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96720913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58455735E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60682868E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.84446368E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01460101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79343442E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39126451E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52760043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.20872979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55740309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20235441E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91807846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17319772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.44630190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71155204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39027432E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18864596E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60259186E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.25482293E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51279614E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99433630E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39784722E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34061524E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48671180E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31656758E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00691425E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.50505364E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07848216E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.90002640E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86642104E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46558862E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28558344E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87901309E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76206018E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09508372E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17949694E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66892149E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84609275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21095148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24827310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10832128E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00037196E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22846634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21256201E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.43653019E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14886756E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51587169E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16078605E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29139770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64639539E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86670798E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24589026E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79811197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08586225E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.89743601E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00615172E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65206540E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45619569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.18294249E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.68616244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.70061415E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54602704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.80349429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.98217352E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76443173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49348569E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.02887499E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47148940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46379012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00171907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.59714224E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.64921518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67445405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76033232E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.09822722E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.89976220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72075403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52620972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.54854988E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.73159461E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53363981E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26389863E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.47623445E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75081190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.57432019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.11912515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.80941530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.04857209E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "84": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04328296E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60878604E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51104078E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10210157E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80329257E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91215357E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83148210E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90430630E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47126112E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30328519E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21383059E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52683277E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57601432E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99746223E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14186935E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69879961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98537556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43269855E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52179619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70210495E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28565464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91406006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39584593E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44913673E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99319907E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61426467E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49544470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17739099E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39471720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63080241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94222392E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61057660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32024835E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.27723529E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23716897E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49958826E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.91977297E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35950468E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32435645E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43008453E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29715439E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.98523381E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46402852E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05702902E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78360770E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81001475E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44518465E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28266698E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.91437607E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81515268E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14893627E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22679379E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.05253391E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12721577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40705992E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37916628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.97328043E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56696330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55222864E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39354574E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40356778E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65339944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75549207E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28366001E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82593378E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80336900E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22511021E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35633203E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.20206304E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25293395E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06543755E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37408365E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84078958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55763068E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.74759532E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00671952E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88587114E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65398832E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.42388617E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.34235897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97421678E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61452746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77324890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.06980661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90486308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19140848E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.77665712E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.22560061E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.91651729E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.87520688E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.69525563E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.22731107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.90760873E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63559770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.19392819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.11237947E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.75460404E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38654510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.93276104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98196926E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.76538650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.22967530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.04617644E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.22626701E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "85": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03754266E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60756732E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50756454E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10041425E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79170008E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90456184E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82735521E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.88381781E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46161058E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29792522E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20951378E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49079727E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55248237E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98455894E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13237310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60172665E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93925893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40215313E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49006518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.40009193E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96998212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76960781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33865293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52849989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.40280959E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92922327E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87060095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21779535E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34057291E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43093309E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65310412E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93184753E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48233685E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05065044E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22514073E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49328542E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89373757E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34540998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31404445E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.36081323E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26034744E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.82867088E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40526138E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03556174E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.70312327E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77583752E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42669003E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27105258E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.84079236E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76931664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11949012E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20757492E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93043835E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05244136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35983675E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34978352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80762081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46674348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52117161E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39932798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.59663105E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90177578E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93158649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.32294020E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34091545E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90349494E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45722599E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42827574E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46622390E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36209248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11502975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.61830047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96828161E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62690283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.13512832E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.22990118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.01862670E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73527665E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.92561226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.65332164E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16600816E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73092873E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.51050663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71596180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37613991E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38924678E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98321112E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88346447E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19004513E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00480093E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03658327E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.59179133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.11278761E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75423084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88637366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.51843951E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.99043819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51897674E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.47768462E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.31051189E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.95704168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.34070388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.39718732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.40521040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "86": { + "references": [ + "dyall2006a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84934165E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55727982E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33333278E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03305171E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50878878E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78018860E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77104887E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62907577E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35084604E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25359087E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19399016E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44611091E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54405149E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98693863E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13855932E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67235242E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98905662E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42176482E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48676183E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29569389E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01235807E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99157956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59355031E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61594539E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02237996E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.34497875E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83634273E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36047288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51919804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.79563636E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55280780E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02733349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56487403E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.54954093E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09240457E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46936254E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.86720524E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35477829E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32396748E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42092331E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29295561E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99199500E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48036474E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06909770E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.85614099E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84751958E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46120100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28839840E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93309266E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82182386E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15113062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22774645E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.07023034E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.15260238E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43122062E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39823737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.14689657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69761160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66798036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49531338E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19507828E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27930628E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14215694E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04280197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87911534E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01991605E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.72386419E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51266655E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.78445447E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49739625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17779568E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.92974342E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13099639E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71566635E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.63621636E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.51936974E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18980829E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83803620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05361722E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01789626E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38275010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85761810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02859548E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46214376E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.89531825E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60155240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.19499697E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05625936E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.47320067E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13869326E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10574209E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.96871492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.32577946E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.87797546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06118338E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.94541468E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23924781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65912723E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.05049919E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.71497957E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.15003748E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.45255810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.80566833E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.58582669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "87": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84371051E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55579549E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32804397E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03091859E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50374715E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78346398E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77878242E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71715150E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43144338E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31937946E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24426665E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80445190E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78334722E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14099476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24157665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48288736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74581374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01821968E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88385030E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16651426E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.27817685E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59110080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86915853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78061408E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06375341E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41350169E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81882595E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20757227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27918777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10988809E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81255367E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99335420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36807871E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64346524E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93503774E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80372852E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03189773E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22147330E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55079174E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.26438440E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.53690582E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40633248E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.79331856E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46076546E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07624065E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84746946E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24894912E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07494095E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29710662E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69154441E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40902363E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.58236274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18117168E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35483755E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34426216E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.73036219E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53285594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65146153E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53257454E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96446508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.20832153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96110393E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66122030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10335099E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81569142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50864374E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32930773E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.27408686E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62763803E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94357307E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06374849E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.84105995E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79786056E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.54421545E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08970031E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.91486282E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38806410E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58918637E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.98166481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21572630E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31522688E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30987202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56950813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45716053E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63739717E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54682097E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.10892022E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.32796809E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06217039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72483547E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.44442640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.10584553E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17398439E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.21833016E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59769998E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.34078214E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10226551E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.66855413E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23464869E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15729150E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.26185896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.49925762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98336061E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12580788E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.34305699E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.48321822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.80666069E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.89910254E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.22402675E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.43923356E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.34830080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.57101590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.57575128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.51580070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.77165550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "88": { + "references": [ + "dyallXXXXa", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80637454E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54565391E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29025534E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01398728E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41000586E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72227002E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73398013E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.38432731E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18930089E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15030901E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13167503E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.10126100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38022357E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93752549E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16223063E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.40413801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89271964E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09255096E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90334119E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16206957E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95240013E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40167821E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78644802E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78880794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12166955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.92917128E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12676255E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41587287E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41536909E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45176626E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75433310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68840517E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44084048E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84189642E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48703242E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42385115E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29575073E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31827787E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60897690E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.52973280E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66006441E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46357061E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.06134752E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59031281E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13994974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15889275E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40030618E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14898220E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66416364E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87641684E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50369857E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07490645E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44133487E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49507777E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42139656E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16491585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78111968E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78911707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59908919E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27672688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.34249846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04270430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71987994E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.54053376E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06049878E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67964283E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42812749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.24735719E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70583929E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91076485E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.85825613E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63637719E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.44716749E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67602081E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00843141E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28453851E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98976819E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.89671892E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18688564E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.83004111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59408391E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.16976006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.36923361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.15999778E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84906374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08273662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.32060758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64577233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05532075E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13212790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.08442864E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64445375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.84867005E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.23362843E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67450726E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20816203E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.10267058E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.43590380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25894179E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.80369927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.79815519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15428241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22496912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.92413494E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.82010169E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.99469002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.76106847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.71576329E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03726185E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.55271870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69360440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.34349907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.08871430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.21315834E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.96196300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "89": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80202742E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54464592E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28761127E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01371899E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.42188307E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74055043E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75473091E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58233927E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36234795E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28913466E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23458536E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80679151E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83149075E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20364944E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29574793E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77677624E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77300176E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98428049E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93422674E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26166159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82752542E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94728250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04247877E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84454414E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13133537E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95616588E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30320889E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55760861E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55319182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46705394E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37078420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05913530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68320789E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05982054E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.40771912E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86954082E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51170037E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.36145030E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64143714E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.68598246E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72139029E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48658349E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.15271843E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62707875E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15439132E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21545648E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42416267E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16112578E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73784206E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92396213E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53393343E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26293088E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55974342E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57363771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47689584E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.57906880E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09138577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02362552E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77799667E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05330298E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.20047439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57509551E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04810085E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15896910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.43984762E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50646217E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89227372E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.59659756E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77352098E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34466199E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14627566E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.98250918E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14879827E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.61822482E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35029116E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.68440420E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61235542E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28362473E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.64760453E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.58359085E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99522492E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13584187E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.57797989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84732781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24776514E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30216060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.53172868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30013755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39580070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31216782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.93027968E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34512627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55270296E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.90390383E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92306482E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.30786201E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09156676E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.61380888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20367540E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13763249E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.13094419E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.41069620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91927299E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08124309E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.02143994E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.24753991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61242614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.67144650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.73082150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50442450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.97408018E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.58390840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.76025410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.81990450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.34557120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.30652890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.11090300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.77918020E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.15687550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.66219340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.16396320E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "90": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73724723E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52748573E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22872178E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99114606E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32943058E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70243589E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74012709E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.53510330E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35223581E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28975647E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23651312E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.81239495E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82169755E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18765131E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28451540E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75145563E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77944108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01081039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94724811E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25764008E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.95669052E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94922388E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02157792E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82174185E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13302435E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02645064E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.31793783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57034756E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53360871E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25765905E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32736964E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07322994E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72630009E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11785467E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20522318E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32558674E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73630524E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29742320E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62224254E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.63963685E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71801387E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49147864E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.19584117E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65382541E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16949328E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29679270E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46470849E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17932939E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81121957E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95205152E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54598581E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.32716161E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59795391E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59642228E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49058230E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66446599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.14499710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05559916E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79808887E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07140428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34493733E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69133896E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13493176E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21735768E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.76095705E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69040410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98168145E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.86233748E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94992351E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45238114E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20481630E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39455866E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24815967E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90671508E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44904667E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.06469132E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77547140E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36034687E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.03084633E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78178217E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10089951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19443615E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.91673710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.05265739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37542937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38126947E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.03611544E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.62685191E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59690521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43469157E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.66579414E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78374682E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80238109E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21043655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54288527E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.94951627E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.53212531E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.76578801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32216753E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.73229217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.57487196E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.92825954E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04209100E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.54947315E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.85462934E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36162382E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.09628582E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.52838789E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.13210536E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.04047100E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.97082170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.94839610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.09472840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.62200630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.25405870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.21406810E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.35510090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.71754750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.09950300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.77580970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.32767400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.35140460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.62728590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "91": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76158725E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53376612E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24781875E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99659729E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33932674E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69703802E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72969669E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.42486966E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25391798E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21195848E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18273059E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.50202634E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68603205E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15788556E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29608721E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.87315982E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78704804E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96304473E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87576025E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20138024E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30618039E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76550579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05573643E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91087678E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19218209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31977513E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47952407E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69239292E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64134671E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01978973E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03206741E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56344810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04928560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23714601E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32955808E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28544757E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68552588E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.94733578E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01695102E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15365272E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60098496E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90178117E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.10996806E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55348739E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59723559E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.35596377E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.46912256E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67554409E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29096162E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20745001E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19330201E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17490990E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.45420979E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62800388E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07772109E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20530900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.07310575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18718417E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45770072E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42143256E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29718885E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76115924E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69308792E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50791045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.15322989E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30546117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24905339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11195201E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42387790E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59785145E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23985420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.19651793E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19938289E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75753279E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39586899E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84198543E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67510022E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31448346E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82269900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69180076E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06543683E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18217468E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88775753E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.05223917E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38180756E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39052506E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.11438825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.68463507E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63649114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45360535E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.69925687E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69936255E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70752909E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.55098043E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17634514E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95673923E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.55309391E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.77344387E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32519823E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.74256283E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.57732737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.92639716E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03946341E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.51964904E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.82319821E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.37429515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.33246076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.71495697E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02112100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.59169700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.55978910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.30925550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.98900430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.64157150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.48428290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.82108400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.70743640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.20677810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.05555120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.82852240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.18886600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.80002640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.03305830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "92": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.66974665E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50936883E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.16410134E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96463880E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20774813E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64106973E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70668076E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.34553901E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24233766E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22287738E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19317133E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53904201E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67823274E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13954938E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28845329E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92077184E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84699317E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98001267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86739586E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20332380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.58503139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92231214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09793695E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93389862E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19091789E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28108692E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52381555E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69147870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62933419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02810670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05884393E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55646976E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01800187E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24813560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38361554E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29899773E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68638039E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.83394990E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98089903E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14434200E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58119976E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89724602E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.09797423E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55067410E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59603258E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.34501008E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45948671E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66866868E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.25641636E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19677837E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19189424E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17482829E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44614780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61413884E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06270341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19336701E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.01430857E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.17040704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47028799E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44963977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.57586995E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98086081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84040828E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59903715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.64765972E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57242055E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38933519E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18792999E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.70066185E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69891792E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27490309E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.33180912E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23237626E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86423636E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43571867E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01279356E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75436672E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35196793E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.99798051E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77011413E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09739406E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19301913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.91117137E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.04324149E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36542390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38063993E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.06231666E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66375400E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63565039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45796002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.74812159E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.72484724E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71955342E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.61336090E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20319168E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.01926669E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.75476729E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.85711632E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36473289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.94342752E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.68446566E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98480492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07216853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.70450122E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.92433437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43960404E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.73859301E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.94349701E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13239850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.45732520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.92104630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.46394610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.37124610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.26357850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.99589120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.31195080E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.36807340E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.90239500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.52427930E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.33988760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.93249770E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.23261400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.99192080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.43196600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "93": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69309350E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51546854E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18342033E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97092998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22808714E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64657376E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70641589E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31660108E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20596690E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19482243E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18075380E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53061035E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69737579E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14180586E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28085608E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92725683E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95280757E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12876031E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01306573E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29650470E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.86006340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12623429E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31972531E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21315020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29181622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77829475E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15592435E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96954077E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80454297E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08720206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46671183E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70305112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99483091E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18653384E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.22890740E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30478128E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71036383E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.86969671E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99568757E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15009049E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60219269E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90605482E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13916541E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56929057E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60358193E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.37361754E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47026714E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67266935E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26854602E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19815032E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19054344E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17368071E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44199997E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61449946E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06379042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19392094E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.03247182E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18147410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47333488E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45221316E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.58057373E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98685430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84448595E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59811091E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63727079E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56325299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38134763E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17127878E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66154123E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69370485E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27833450E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39084765E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24643234E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.89092751E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44016596E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01059045E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74621051E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34638191E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.96943953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75869595E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09455455E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19347525E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.92557004E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.05346395E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37000057E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38549385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.10036044E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.69119126E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65630235E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46914130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.80141758E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.74778517E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72565700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.62397350E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20357017E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09518638E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.99964276E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.95884254E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41288428E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.18901608E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.81618903E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.05731583E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11312551E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.93979837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.05811187E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51802346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.18107094E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.17605801E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24027074E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.80723800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.19146460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.58844770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.75163310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.78202380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.58184240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.03974000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.09599270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.80839100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.61274650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.96891210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.29416000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.15839600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.81529030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "94": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60587029E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49226412E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10310201E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93953264E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.09414355E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58659287E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68019329E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22494161E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20825000E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24492450E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25134556E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28323805E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40475410E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71443935E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67388849E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03640905E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52144312E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06169635E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48909464E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50236690E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98074097E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.57993497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43465652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11284865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32260515E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.23356895E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02292464E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03674496E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84396265E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18359299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.09467983E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22656241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40653453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25841533E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68364350E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41484853E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71187287E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79858035E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97999154E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14684157E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59633998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90582832E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.14854387E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57860178E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61039717E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.41773854E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49726603E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68916166E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36903166E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25721760E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22375657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19162300E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53453513E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65932595E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08341231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20144452E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04387011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16937533E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46170480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45576080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66916200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.08258802E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92325599E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64939193E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.83927999E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63255604E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39716891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17782903E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.64957138E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66544356E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25440571E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.53787802E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28265620E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.00229265E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47561493E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13586812E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79518362E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36736588E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.06601326E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80589824E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11910180E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20688335E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.00242646E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09546893E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39087233E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39646208E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.14571244E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.70018224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65897832E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46937404E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.80210734E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.74377183E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71707197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56086478E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17430200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97585311E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.60651723E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79215292E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33151842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.75735076E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.57327172E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91467280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02938633E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.44786695E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.76339034E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.34941475E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.24933468E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.68891375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01631877E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.95396300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.27827150E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.61160040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.44054160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.71929160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.61735700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.05912200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.25902020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.04161480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.06117320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.02720150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.32750730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.27550010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.75453400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "95": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63033462E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49888292E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12597035E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94796715E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12671980E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59925898E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68644306E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.26713722E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24009797E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26908642E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27320116E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.50018801E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60310780E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90447530E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85307548E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16081050E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13400554E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.37532759E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67528014E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62794628E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.92254266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12742096E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74373490E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27730356E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42857768E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98484395E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56637309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32717249E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00352420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25513136E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.55306831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40906981E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45247847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21176001E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.27466977E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18493443E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62703921E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.88226813E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02311416E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16647920E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.68504775E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94575424E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.32302384E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65362460E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64353169E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.56890209E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56707185E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72103966E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.51121088E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32256691E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25585681E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20797095E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61899957E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70389294E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10708954E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21384261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.11758660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19925065E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46151073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44491624E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.51455962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95304189E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82866020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58481573E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.54737537E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.49853518E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34689888E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15739862E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.62678509E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67211218E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26263436E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.51367502E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50366436E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67612123E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72186940E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.13861115E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23879369E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57788375E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.12278690E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.35677484E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41519418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37133608E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.93784028E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.64920270E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72624889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59096045E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.29635069E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37866296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03232953E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66690011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.76889539E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.13076712E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86394333E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.05975848E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30850561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.06562623E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.89557371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.91207287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38841004E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.04827621E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.72988259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00130465E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07851669E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.73035902E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.92692535E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.44020784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.72388396E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.91937915E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11574623E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.37342630E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.55947300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.72885410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.78801990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.18552090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.78944570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.32065670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.40005000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.45446620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.28555530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.17010940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.12494080E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.35157100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.54086020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.35870900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "96": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58526459E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48674229E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08174104E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92961713E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.04497446E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56270500E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66971220E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.18118952E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.19104772E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24352079E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26577729E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52452175E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61301814E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83568534E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73468591E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06106574E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.59824648E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.31540220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75072399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66483532E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.74770087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99569671E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64417669E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25179162E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41202852E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91478991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53002477E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35508626E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01842384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23174587E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66826612E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.62403784E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62240841E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27081563E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.72790566E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47764069E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78584819E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.81114135E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99835187E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15857774E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65919661E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93700683E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29099893E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64115731E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63832084E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.54479310E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55501022E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71480120E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.48072115E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30770008E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24841560E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20426179E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60101605E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69544411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10284684E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21167195E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.11282022E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19659281E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45891390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45010393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.57279639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01131996E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88203146E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62650478E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.79265221E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65943311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42872327E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17008183E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68335489E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71451095E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29386157E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.43338014E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48360185E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.62236933E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70358688E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.06525220E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20689528E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56257973E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.04304613E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31636891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39595924E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36188283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.88938631E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61809178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.70513184E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58239804E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.26713496E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37347264E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04058528E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67576338E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83203942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15461227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86604539E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.03196919E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.28515215E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33836715E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.78071852E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.28229122E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56580210E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.96909925E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.23470164E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.28811650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24403042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.69566667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.49317605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76338098E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.50176636E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.84210458E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53924181E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.65012960E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.65089200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.03616670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.98750870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.94726470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.48934650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.11511690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.39324170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.15850000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.52959600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.45690450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.22634630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.17471630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.27346330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.85034650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.84121410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "97": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59554812E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48937958E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08953066E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93143307E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.04519941E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55639623E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66148017E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.10344156E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12864708E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20313890E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25904251E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79362074E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84493148E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90090977E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73684979E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07190189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.85791027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39087518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72509475E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64938670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.76318598E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02353099E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66493879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23450390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41244386E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.88138372E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52450418E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34121674E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01479580E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25272383E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.63565362E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59924356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62191896E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25468490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67016191E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38042496E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70591870E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.83292177E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00588635E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16137153E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67072901E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94181845E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31316225E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65243448E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64404153E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.57258375E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56798451E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72069039E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.50634285E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31708109E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25046297E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20370939E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.59087450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68760461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09776472E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20877805E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10115290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19275706E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46877345E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46510668E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.69006623E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.05755316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89503140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61778971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65522740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53510730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35442461E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14479717E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56367995E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64830762E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25729449E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.41043427E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47990698E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.62308149E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70936280E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.10646505E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22810923E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57255392E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.09296730E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.34410816E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41223272E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37144102E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.94669687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.64862418E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71899786E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59076782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.31014587E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39049862E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04700544E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67487438E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.80108560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12814010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84574129E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.91359414E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22836169E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23445654E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.43994922E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.13804417E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49550798E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.59535853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.02394391E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16372366E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17063935E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.25951727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23117075E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60790161E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.59646976E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.34219087E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29812532E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.96480930E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.55195800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.08356180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.98387560E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.47341700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.26077540E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.16849050E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.41018840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.85695610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.84596970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.61121990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.27370350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.24476300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.25068420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.94199580E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.06615800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "98": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55143038E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47742963E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04662932E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91374599E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96310883E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51528842E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63992265E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.98646224E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05630624E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14211528E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18674441E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.11600852E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72624168E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01414444E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80660907E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07958355E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68874486E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38919428E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80636619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70083720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94640292E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12176025E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73545249E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31221412E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52016423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89520192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13866955E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78993717E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29980282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36917537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.16603326E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74107739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63140337E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21018635E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.36023240E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24281072E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65016972E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.86036564E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03967154E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18089059E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76922890E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98966039E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.54132931E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75971508E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69412401E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80760897E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68055717E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77592622E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78076871E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45326067E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31758946E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23665940E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.75308359E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76810738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13770770E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22829424E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19511143E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22891959E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46991718E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46107437E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63235646E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02143449E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87801789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61248969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.71230072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60660572E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41130472E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18693825E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71988827E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70675461E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27632550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.53646138E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50169026E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67242397E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72261731E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.15343139E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25033168E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58507655E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.16634703E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38582510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43464941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38270287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.00231959E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67386856E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73033759E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59892147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.35966056E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.41359067E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05804201E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67743325E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78965300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11686206E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83510102E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.83787510E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18312832E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.31692650E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.70620656E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.24835686E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54774098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.86229310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.16758971E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.24314565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21571626E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.51806550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37885165E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.68886837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.01654417E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.54479704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38487060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02801520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.40372130E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.51036730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.20059450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.30202910E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.61079540E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.48524940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.80715420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.98828660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.45712670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.30876270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.21359200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.24162980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.61599900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "99": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54849557E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47659838E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04296265E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91184855E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.95438224E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51092766E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63668714E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.95297733E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02286996E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11217130E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16255352E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98572601E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71724264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99936957E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81187293E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12419913E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35787341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75566629E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92689417E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75826886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03657930E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.45801989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98331160E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46088512E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56902917E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00799999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68340842E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97181623E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37000990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33184325E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96858167E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76270559E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74032505E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24105669E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66632769E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40599179E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72760131E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.85462648E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03466000E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17774129E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.75584115E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98603870E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.53837014E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76095319E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69348352E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79327631E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66722905E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76537097E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.70311374E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40131744E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28687334E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22061715E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.67813789E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73652593E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12631976E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22625608E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22079516E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26606040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50771648E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49672576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.91515139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22675060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01335846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69344691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.08164251E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76395054E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47155742E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20600603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.80017218E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73832283E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28880354E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.52262777E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50364105E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.69338196E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73370914E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.19616026E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26446759E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58843030E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.16604204E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38171117E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43286979E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38213007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.99949744E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66629528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71880666E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59256062E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.32684170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39730395E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05313097E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67428377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.75356689E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09131345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81585401E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.72356803E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12392557E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40548103E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.98786534E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.36453618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60249675E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.14064762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.31651381E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.32505996E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26208133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.78307250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52866208E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76990695E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.43067828E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.74173239E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.46825710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05988120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.26077220E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.69079700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.25398800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.34148390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.42142060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60346760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.95889000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.18267240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.53708670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.38280430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.18271700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.35034960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.82338400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "100": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49422251E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46215359E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99207014E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89165896E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.86944609E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47470234E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62279871E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92098618E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03693959E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13975672E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18878441E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16405163E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70977484E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98113698E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81887614E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12530021E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.09096942E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.63329878E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00006709E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85663684E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11685474E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.87312496E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21896333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74880292E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72182645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12853664E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.21083271E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25296775E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51332889E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44807845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.82372311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15454066E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87242721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46727117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28545031E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59890498E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79105748E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.82154994E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03697462E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18357801E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78942060E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00129571E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.60724278E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79614113E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71318402E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.90113281E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72342855E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79410880E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85160194E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.47931304E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32759658E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24106131E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.77545386E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78050166E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14486970E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23319389E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.24135105E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26169251E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49351025E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48564643E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81765807E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15250324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96394861E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66209192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96594385E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73758460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47487667E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21287007E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82979426E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75361689E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29591399E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.22398178E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89689142E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.88699924E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15576760E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87590384E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.00196419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93601071E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.89075409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.27285456E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.91170291E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64931588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.51911631E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.55933224E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25207183E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89281151E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10480502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.38041038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.58756263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95918394E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01847576E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.63388142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00168772E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.26841222E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.24259619E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49059266E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.25980213E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.47684765E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65556840E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.41146287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.46192737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40525428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30755132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.04296337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67513169E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84875556E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.83059317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.93053714E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54786500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11063250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.30665800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.05428940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.42113520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.97990870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.76456340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.33368630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.37242000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.41785920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.63457530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.41276230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.15283000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.38371460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.88884940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "101": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49148330E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46129268E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98839145E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88951190E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.85520058E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46579538E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61782117E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.89349361E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02219267E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13237188E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18560943E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.07519762E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61289079E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97911861E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82915657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11461723E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.04386554E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.62648695E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99738483E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85496776E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11232230E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89054156E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24133650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71962723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73424477E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12265177E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.11668679E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24512050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51054933E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45186196E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76555623E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24763016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96825921E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43417824E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.29999365E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63362742E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81099364E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.83480962E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04892784E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19124202E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82894604E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01851678E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.67443065E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82093533E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72182657E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.92758498E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72920740E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79401600E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.84175445E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.47241657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32443739E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24054914E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78558279E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79630962E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16053450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24644462E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.34479976E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33755175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55152166E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52911862E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.12154030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.34015689E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07220401E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71857840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.20095976E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81840364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49048311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19478326E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.77787334E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73946800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29433662E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.65406368E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98633280E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13799664E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23352853E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.13906179E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10029828E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97584570E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00664754E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.35592807E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.95182556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66869200E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.62014768E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.61735680E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29024766E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92192277E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12536601E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.51160970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66370538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99866383E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03671908E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67292507E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00003111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.19072332E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18672934E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.56984926E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.51243291E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.58096299E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70464541E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.66153644E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.59627662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47957367E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.34999113E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.28741953E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.81351995E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.92363237E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.21316945E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.11222566E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62456377E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14083990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.09506700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.34685120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.55221410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.49770120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.41196010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.46118380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.52574300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.65880780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.73885280E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.48913470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.11166410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.56803830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.23170000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "102": { + "references": [ + "dyall2007b", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49169296E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46143214E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98912094E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88985951E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.85760198E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46707542E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61775616E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.88442855E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01770396E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14162832E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21234028E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53258638E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25031519E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49559953E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16899452E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32014363E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02531089E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90430105E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00423782E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83618144E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11246840E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02008888E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35604887E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57646044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72627794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12133397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.04942843E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17623362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44996903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42516237E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62056543E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19674723E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91301893E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42157935E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18766140E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56797157E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78347861E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79049068E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01204424E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17010118E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72811267E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97280327E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.45466523E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71193226E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66985347E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.69321129E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62671415E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74886993E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63713170E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.37696655E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27855550E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21758432E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66871308E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74059897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13907418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24346584E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.37473869E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.37223164E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57535390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54531189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.21028809E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37128585E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07922901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71530971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.23720125E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87713911E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55175002E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26055212E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01736716E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82818300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32347781E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.82401299E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02584486E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.21430540E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25816520E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.26683785E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17253031E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02087671E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03484298E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52242539E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04595132E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72122572E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.91170512E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77575482E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37266089E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96478270E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14799255E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63297005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.72070366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01976902E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04120850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66816776E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98457941E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.06939334E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.11329602E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.66399427E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.81149210E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.70369212E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76221297E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.95298011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.75160719E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.56465422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39791077E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.55927231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.96481894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00429477E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.62013301E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.30241644E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70316003E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17753060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.89261820E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.65382840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.68787180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.00296380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.03173860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.56214670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.49069100E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.92981330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.87148370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.55228830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.06047110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.75397750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.59003000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "103": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46111957E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45302325E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95687028E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87486815E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77795310E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42155723E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59090617E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.72122286E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91287383E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07048119E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17020944E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.57865466E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32910102E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42515423E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15313607E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34163529E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32006756E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03970392E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05939624E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87046305E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15876462E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.27256095E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50633736E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72412057E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75203190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13085389E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24618584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65301060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89930217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68579598E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.90087273E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.62762314E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.14277325E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54269160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.05905652E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16201557E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13580114E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.81009669E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03573333E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18439403E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.80236184E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01156259E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65987036E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81434675E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71707961E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89858904E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71363128E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78545797E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78724219E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43445672E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29882756E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22469644E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.69747369E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75136325E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13931363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23810540E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.32235073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33439459E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55321811E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53508732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.14660845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.34483835E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07265589E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71777926E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.29300100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94779010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59321852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25164770E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07637886E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.91077078E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38280741E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.62533080E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98266961E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.12770830E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23826796E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.18823220E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12730666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99332391E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01887510E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43614173E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00142357E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69784668E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.78666708E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.70038523E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32598940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94091502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13385020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.53711030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66721883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98984802E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02399392E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.57516840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93322174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.81641432E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00530063E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.95526483E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.74425363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.09028588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.94589709E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.90061497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.26811711E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.85637779E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56570579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.53978227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.53871546E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33271945E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14458678E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.27054758E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15761281E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26181620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.68389600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.20275930E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.97031980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.14528820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.27480500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17240600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.35200300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.29376920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.06510450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.61189700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.51651250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.34136210E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.05563480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "9.05725120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "104": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.45971372E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45277067E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95589869E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87427357E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77491260E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41875952E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58684788E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.67072072E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85745371E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01242429E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09863494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49369432E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32805196E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75165842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62432299E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.48726043E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60818993E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35050623E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00685958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19873509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36322132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47397460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66290353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71368848E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09968864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.62332857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25434932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71896249E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76787141E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91893278E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.62245397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12840627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68104897E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86618595E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66944138E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40726651E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.97543058E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15716432E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24972927E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.12608799E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16582238E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.39527408E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.17296069E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89445241E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.77988939E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.15290693E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00545299E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89963280E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00515616E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59610000E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38149056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53126752E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19843225E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38043987E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36827280E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.02165558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71161106E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75774609E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64586005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.76452114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69866732E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28431927E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86420837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05649370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00091584E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39968855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90788120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01487179E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27128262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69365094E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34013783E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.12287133E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85103885E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.73082876E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09975896E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.66024218E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.91198361E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89727383E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.72037069E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.19357011E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87049422E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62482500E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.37938274E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46442030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18523754E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86743573E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09370867E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.30908807E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54225099E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91968284E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.86797233E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.68566135E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11061498E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.05738045E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66948535E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.39768115E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11525306E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.67292481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.22162592E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13265535E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.04466398E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.29801869E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.82037167E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00408899E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.43369996E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84740674E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42594119E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.67971938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.80557568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19865127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.10687970E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.74061520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.24550720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.28230330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.05819880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.71757250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.88483390E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.65124730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.25566260E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.31336740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.13524270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.35804970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "105": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.48201058E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45839431E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.97243937E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87884252E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.78509755E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41895007E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58547563E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66246697E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85504750E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01182174E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09683385E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40495028E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.19081632E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72840331E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64620158E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.72211688E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73797828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42450512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07295190E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27154060E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99891549E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95398844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96575131E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91313087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21884005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64699481E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73539475E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88065731E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71030365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.93333671E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77147473E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34296094E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04639062E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05326780E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37466641E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70246458E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28348255E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37798186E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36856093E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72736429E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46452015E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08680929E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89639200E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25034203E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05398251E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02954172E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44617978E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21385683E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.15501878E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19379644E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69676784E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.21860425E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11425253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88640686E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65171375E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.60373313E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63349012E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29934342E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96079604E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17347050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93283396E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01901444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28835539E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26200195E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92360331E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74914496E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98794418E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05333582E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54235488E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86377054E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42362834E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.20758469E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88349036E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.83357432E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13485612E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78335066E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95467280E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91326925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.79197118E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.23238802E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89447010E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64046400E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.48251960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52785055E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22131382E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89060790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10794937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.39081471E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59301360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95231451E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00583669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91349583E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28672321E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01344722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22744429E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89340694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27213020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.32062111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.52682219E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29072634E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.90467043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.79000301E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.10534277E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17354346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.45216777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.42980502E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73912411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.18764702E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.39295395E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39909052E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.67950310E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.27933900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.51985130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.41803270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.53173600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.17967740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.29031240E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.00520310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.44502000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.07989640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.36459280E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.66139900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "106": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44306651E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44803255E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93619198E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86438395E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.72137771E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38851120E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56979902E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.57570965E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80158923E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97348014E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06418075E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07535116E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91461294E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61932832E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59370347E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41298089E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59711467E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36983861E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05545789E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27666466E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.06114934E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01770714E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01567875E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94431003E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24540150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.21107798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15215962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17914727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88993439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11859288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.43641290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51855356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97685459E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03733543E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44054872E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79881230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27620868E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39028684E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37968488E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.79810798E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50290999E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10574052E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98641575E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29282247E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07366868E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11871372E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48664798E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23283977E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24699591E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23910466E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71936945E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.33405454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17547124E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.91971029E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67176178E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.77614838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78615135E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43081630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06268084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24946157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.47321769E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39744629E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55098345E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44302711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08080291E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45635704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38722015E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21119972E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07334156E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03611956E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48540597E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.15409231E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87038318E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.79029974E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11888521E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.72153402E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92829105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90053277E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.72572898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.19884897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87877740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63400192E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.46375914E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52504149E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22194042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89594380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11328146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.43180389E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63022484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98436482E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02875500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12331357E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43748428E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10514040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.71169071E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.28955831E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39563165E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.82563777E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.76305845E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41262994E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.56651346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.16850124E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.32514262E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30454962E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.23776632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.88214729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98934605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.47786994E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.98435704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62225990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.26543170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.82445660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.79605680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.55396640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.76948440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.61174920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.47705550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.35736760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.63410650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.87616010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.58267420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.96614700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "107": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38087103E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43139197E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87782538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84111335E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61848488E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33990973E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54553752E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.44845948E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73128282E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93232282E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03689590E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83424485E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66344976E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51394996E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55986729E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26949080E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60157935E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43095111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10472302E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27587615E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.00911078E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99699561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11152246E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04652189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34468406E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86593700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56826804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41276143E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96206854E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16914142E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77732332E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87008918E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12977038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13874394E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98853433E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06599422E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.41601473E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48617304E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42984620E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04319189E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62300194E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16607723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29355507E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44932956E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15345912E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52616083E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69469722E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33900382E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.79148775E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52197827E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86895872E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01400605E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61833948E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16923472E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81504336E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05968761E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27000998E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71348935E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22332955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34606879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.03222188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70235819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70870426E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51413153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37775950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53127761E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37188036E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20757112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09607425E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06835377E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50505939E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25732048E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89078310E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84946964E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14028198E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.80448289E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.96415629E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91822076E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.82038620E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.25146118E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90835205E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65091372E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.56504142E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.58649512E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25906629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92134884E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13006066E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.53680661E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.70242904E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03655314E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06490529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37740289E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59755195E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19616704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.17587366E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.62593619E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50308567E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.27380568E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.97454580E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52170465E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.15651511E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.50388945E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.51911949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41969507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.92526591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.28057634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21417901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06796329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.56898773E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.85350008E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.79137450E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.37971300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.07581950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69096900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.88770160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.03980800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.49806610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.70896260E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.82354290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.68596620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.77661490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.27273510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "108": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33269623E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41851417E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83268372E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82318050E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.54099166E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30477679E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52929369E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37356296E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69817603E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91879784E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03264584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85198023E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74773856E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54405948E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55186768E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16054784E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51401938E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37400874E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08750776E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31115890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35357781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26866244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26325371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16866319E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41004686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72303455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51599702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37675879E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08066643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22202827E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34117242E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35468451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30901222E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23322316E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.50849182E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34128974E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.32558353E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43810001E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40848826E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.95180081E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.58243045E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14620015E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18659046E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39042751E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12203808E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.36441752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61240540E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29692845E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57387226E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40746952E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80729469E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.80046315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42782244E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05982411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75229867E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02348390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.03259619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55051710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12253603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27547462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.56428591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42520750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55567610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44020629E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99628812E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32397680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23440848E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13579586E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75133443E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93160698E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46599600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.61082747E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97163167E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.09272802E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22551945E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.14110391E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10984399E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98633142E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01599233E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42985895E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00646273E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70686814E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.89340908E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.78325035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37883655E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99543036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17621890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82594027E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.88239844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14868597E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13375706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77919293E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81695359E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30867606E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.70614201E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.95845653E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60576278E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.68803827E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.16708418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62087843E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.69589193E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.81243689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.69894774E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52675721E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.56323870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.65189758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.42630398E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18377640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.15030549E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09013101E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.46382300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.94805570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.36037060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.82962850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.94657160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.47700620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.07527960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.06089820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.01377970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.49687490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.00918740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.58155380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "109": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35477948E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42425298E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85073488E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82894279E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56031660E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31088246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53074373E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37080431E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69206830E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91663745E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03935295E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04140768E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94101657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56370723E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55195065E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24359501E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55475860E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38025689E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09895711E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36255520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.78863358E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52626730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36054257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17140783E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39704603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.33929881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82691970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61827476E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15134839E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30739224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75243499E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51275426E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63479795E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41920868E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36041219E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68802643E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.48006000E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55092594E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47009910E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26593635E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73989099E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22529921E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58650128E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59170756E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22190178E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85526992E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85505383E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41889116E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19798356E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73211614E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97914836E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07276890E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.93870073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34869396E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91668183E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11578146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56743955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85973189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29621374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37655785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13789707E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73541932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72428035E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53188993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46635783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53510826E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30091525E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14076172E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76111994E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98548630E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51012149E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.17486083E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09710625E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.47059397E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.35989800E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.67555707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33862604E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08962654E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06540434E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.68010879E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13953401E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78012166E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03061016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.02053597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.51826932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07844566E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22627777E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12884239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06691699E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26246422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20283487E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.17418477E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02984495E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41764949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22202021E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.27363523E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70381075E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.08724823E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.35300194E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71614036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.21050686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.10431960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.86790524E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62678574E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.15807475E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.00018295E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.62803706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29622784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.73130264E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33139137E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.10230640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.05319710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.65066650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.97037890E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.09769260E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.93365800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.19834210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.41388270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.20517740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.30619010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.22574390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.89294610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "110": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30790073E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41178380E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80722313E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81152422E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48200978E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27280674E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51137241E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26958422E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63682414E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88318618E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01460230E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82599136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85010707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55613261E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53518952E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.06034996E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52389804E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48598262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26273664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48192341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49218137E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89522756E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52081241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27519042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47398207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01212820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.34978384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98570897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36186210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44065118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58616473E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07113026E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76601076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47284221E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.67102624E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87202974E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.56767129E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59815913E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49176224E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.36225556E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78361874E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24556053E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68302495E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64005873E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24729792E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99060779E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92620332E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45577396E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.39082729E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83491978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03450316E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10273535E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10298882E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44044885E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97084568E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15095596E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81030138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03337528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41832707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46536534E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.76333242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.16559936E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01656733E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72178445E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.66664388E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29997901E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81569298E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41687474E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96883625E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40532021E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62899706E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00490181E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29741144E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.08289133E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57989810E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05606975E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.72776544E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27361906E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15753844E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.16182727E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.40062481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92576284E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11340668E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.50429554E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80839128E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24864464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32800129E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.74500760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.42566686E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46982695E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32177162E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82085010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35843742E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57250538E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88647200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.57413318E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.79726212E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.46792982E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.53064345E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.80729002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.70399757E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.38453473E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.03046042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.72315472E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.73205155E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.33804247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.82549268E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40760720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.31551503E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.57727957E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.76354280E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.11339070E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.94753580E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.11355660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.19949710E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.42041280E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.33156160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.76844660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.39793820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.10962200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.44286260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.20718440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "111": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32963330E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41739348E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82465082E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81688027E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49750743E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27556012E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51045074E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.25492477E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62692302E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87921293E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01528250E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85639221E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85602993E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55479559E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54208281E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09178461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49695883E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44862684E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23941946E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45327487E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.42652522E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89988043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50545010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27639863E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46622500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01751391E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.33666160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96490590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32459114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44148354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62084423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02501108E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02173530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61951163E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30567041E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12630953E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.64035460E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67539711E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54120168E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.63766306E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92907417E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32079851E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.06807205E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83563724E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34659656E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.49771151E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18656967E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58946423E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07478064E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18504607E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21582578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19855066E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.62105175E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72828313E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13589614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24987371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45146995E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45918639E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69200228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64981508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96198520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.91865076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48501236E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00814313E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13398132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23044305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30056071E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60850559E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.64977666E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62158027E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69239534E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01102172E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31959730E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.16361322E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60722075E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06490935E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.75930237E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28674177E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16330175E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.18666491E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41119063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93047679E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11605941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.51860397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81480198E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25634226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33428798E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.78775550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46649120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50660604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35129111E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.02220029E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48570918E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64791602E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.28891144E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.87763137E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89116232E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.84779561E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.70663049E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89694015E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01865253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.65687769E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.18775230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81605888E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02845292E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.66432202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.01796245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51771310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.90404148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.82760263E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.54675050E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17559820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.25165600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.25944750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.30142680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.95469020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.49761150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.12505460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.59233500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.91003120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.69315830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.52452980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "112": { + "references": [ + "dyall2011a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28348976E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40500323E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78082602E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79919419E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41844044E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23756166E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49085023E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.14545754E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55935593E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83304454E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.79256875E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50286995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48192450E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38338824E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47319109E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.77046508E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35314782E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39833265E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22760060E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44415827E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36454097E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93554622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59885499E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36308348E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53009368E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05739052E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99755409E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45664074E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59941275E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59387103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24871674E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.20059377E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13181760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70060631E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79908964E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38774122E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62254239E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67351088E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54267713E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64652737E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93278966E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32192978E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.06838514E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83439975E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34635907E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50176263E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19117104E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59227363E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08826107E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19212664E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22045165E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20180315E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64417067E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74449587E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14489856E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25084340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.39299969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.37063871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61453565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58221789E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.43617305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54424193E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22859365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83196222E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01548816E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.45665731E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80743078E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40453853E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94444049E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42238079E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64434980E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12641028E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57143981E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.90755626E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86941813E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16948288E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.21329700E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49726094E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26680872E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.72058114E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69747256E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08869290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20507178E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.03358308E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12054118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43347384E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43941821E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.42314879E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.83670490E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72158764E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47396736E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68168559E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81692311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80289488E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.95273237E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.17203182E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98173822E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.21312396E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.87588980E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98319291E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06514404E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.91938275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.33941180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90557653E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08169625E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.98022315E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.20617398E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62686943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.49799127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.08241165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.35545550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.24006290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.56372870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.40830290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.40619090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.57011180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69058970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.48406170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.78852700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.71092530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.94737170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.84523420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "113": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27196403E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40181172E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76915925E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79430975E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39815540E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22955007E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48813092E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13670521E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55206807E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82164857E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.62298159E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22953390E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92147343E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67361987E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88208746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93567253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61256521E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22237016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39805397E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85855904E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61491969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55467881E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43180164E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64040194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12017162E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24649384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60033228E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59484257E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71841941E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08733039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36593759E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71258074E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29886893E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11526856E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01964399E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78822227E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79251465E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60979217E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.00506570E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11991699E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41855244E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56646361E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09019500E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47681051E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16130990E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52296712E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76040809E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95561770E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64866537E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46519716E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33528492E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38531948E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16586933E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38862032E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39245047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.25374353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89609360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92614557E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77868026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06613145E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.28508530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68624509E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12194485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19933177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61340776E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51823441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72049802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13589190E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81167733E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75663167E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16714124E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.66916817E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21164227E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97833395E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21242639E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39607613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58130105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30861623E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.94343971E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.82295013E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16242539E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24984606E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.31451415E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30119781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54951252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51544014E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.92648999E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.16215777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93198011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61038598E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.53123860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33182672E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09880286E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34384342E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.66784641E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13455133E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.83105889E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.16214588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12935368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14399278E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.36596446E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.59859044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.05940889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17436154E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.54501004E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.55573168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84637679E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.87587823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.73547013E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16249082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.56108030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.48076710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.40439630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.20311650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "114": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26033797E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39861654E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75619038E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78781943E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36271088E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20940507E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47660635E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.07431758E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52631940E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81906673E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.73215188E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42119864E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18800440E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01508625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36424516E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85520434E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72596203E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62189952E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24697245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32834569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20140838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08075010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31631115E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26480640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49018114E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.32444366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63329153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.14759330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19116357E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36044159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45721060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24430169E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56942043E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25619421E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55232207E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.71686810E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74532433E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58527086E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88873651E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06645977E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39360764E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44592635E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03101177E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44838769E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.03168972E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.46705483E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73705835E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85790925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60557843E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44367888E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32305040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31531519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12995646E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37364697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38977369E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.25862051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90657956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93087963E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77481973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05691523E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.21876676E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65091628E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12745834E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23561840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15215577E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03290889E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07920174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01708236E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82197574E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22215679E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24588240E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84906635E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78025433E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18705384E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29691001E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.76369597E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75087939E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39062891E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.35540610E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03779425E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27934635E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31616835E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.71117594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54825517E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.70176626E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61169459E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.53741366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.53846630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16557103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75695437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.42412193E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.86065188E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39010364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06334671E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.97374160E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.22900735E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.21249703E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.33899326E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21940907E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19257744E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.64054411E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.75809214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15442287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.23219110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.90479978E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.78889544E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00313700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.92431016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.28863198E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64962588E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.68512420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.21322040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.41562200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.31532480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "115": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24911974E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39553632E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74440734E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78234057E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33412453E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19286823E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46626125E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.00439183E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47609955E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78335897E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49346305E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27963478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16130723E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08713492E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36289221E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50071675E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49964280E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60178408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27387670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34457367E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.23908379E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05250060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30429246E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21291361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44784260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.35071470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68943819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26438607E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08357640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25477219E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.81432891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54863722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64221974E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37176563E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.14006031E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85958919E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85210836E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64516561E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19261901E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21611493E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46698725E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.80711749E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20962760E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53668391E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.46558964E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67953739E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84065184E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.35772192E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84695318E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56403755E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38684653E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.67743193E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34883152E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51336173E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48260944E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89476072E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32898726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19974406E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94895519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16746630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88254306E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03845438E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33493378E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33543728E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.60463468E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30204003E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29863045E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16588245E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66269622E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63584306E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26167483E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86623031E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78557699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17917223E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29058532E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72578478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73182164E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38169477E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.31698941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02355784E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27480958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31508533E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.70380044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.53880226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.69940113E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61142365E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.54570638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.57377187E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.21004120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79994676E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.77276302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.11396721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54685635E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13037590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.29160971E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.32630148E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.60235385E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.51835799E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.30999477E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24103456E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.91175637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.91402590E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.24626977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28744995E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.24474052E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00883114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15336038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09445192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.82415648E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.72630012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.80718130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.92753000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.35089970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.42556390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "116": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23799264E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39243286E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73221874E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77654820E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30361696E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17550479E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45627386E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95052171E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45135157E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77399324E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45016585E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22044631E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01773055E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84961315E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24104198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59874466E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75488016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70799507E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34424619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46206219E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.44923485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23597524E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06634763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90453402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91962782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21287140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.55527084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76212099E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08903042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86070937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07350022E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63436145E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99741663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49319761E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53593169E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95283268E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92544355E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68890395E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43198007E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34302600E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53313566E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.14818682E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38429639E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62592154E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.92426176E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91704662E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96476567E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00207773E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21092833E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76757524E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50146919E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31966562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70443277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70741286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58723125E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.48902770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68018302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40914977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08355329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25576715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.47618060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46042724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64115336E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55375259E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02077303E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07917555E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66032301E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33259718E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.45491010E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01679730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39359689E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17890374E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.72932834E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.51219359E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42255879E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.29399898E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99220276E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50820677E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96269237E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.36646597E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46374386E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42203929E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.33368684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91983532E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92291987E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74763209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03943489E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.07649384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.50858263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97696303E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08142891E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71221099E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86471548E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26597270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.56966134E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.41096043E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.93912208E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.67277691E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38790675E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28287391E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.14744191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.05083219E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.32785505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33730647E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.55766996E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.21695517E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29985956E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19523675E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.35074608E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03550735E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.92867370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.63235400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.49813260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.53469770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "117": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25924042E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39786639E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74856617E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78116779E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31532502E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17731863E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45570946E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.93830899E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43691468E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75966225E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.32921669E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12878219E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98100204E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00438650E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43170464E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84763220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46049200E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46987096E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26498640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44727104E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.57744976E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.42001428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33513402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84369578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85078189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21733914E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59651688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78373460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92185735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82054393E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11983838E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.87400090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51783240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73895855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53124545E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.93246819E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89712442E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66943502E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31554976E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27713614E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49736978E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96070208E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28752702E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57544646E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65176570E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76554718E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88023194E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.54900475E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94360639E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61315371E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41145997E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79694086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40153287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53306745E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48995465E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95792122E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43943689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37144210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13163157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32966028E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13703554E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94917227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95267920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74192612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00892452E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69421784E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01956499E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52524012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38304128E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43311967E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32297364E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.01410573E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.23876746E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.33631141E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35134132E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.98288898E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84773093E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43697264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.59249954E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.16481893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34908042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35585871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.93428876E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67303882E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78548689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66653603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.90368697E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.82324837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38748080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93312913E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06912481E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.69840840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87485417E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26036933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.87052991E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50204991E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02993794E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.83696914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.46996228E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32635146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.38892678E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.18942948E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40986042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38706840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.86604040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.41990975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.44385042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29548185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.87285453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27770312E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.05050050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.33302170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.54121580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.64320680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "118": { + "references": [ + "dyall2012a", + "dyall2012b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24854746E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39495779E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73765924E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77625390E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.29100862E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16380784E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44752897E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88591249E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40160683E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73417123E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.12592703E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95335065E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80074865E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70828513E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21733487E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62943305E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64966578E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58140072E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25880184E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47289887E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.82329929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44618236E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10574543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72635178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81140109E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21460422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.45100752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49058231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95347603E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83892540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16166488E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.75425819E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66995155E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85479420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13633895E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95852932E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92231113E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68599722E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40624713E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32279378E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51963552E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.06722550E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33736752E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59921303E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77594264E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83692071E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92222193E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.79057721E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.08057925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69240533E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46023844E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.11773863E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.62080977E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68465450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59444659E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.67099966E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.90306127E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65442581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30463929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43239383E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.73188672E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30197846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16777708E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85750803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06303456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.89913886E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13360961E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60458662E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93676508E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75337574E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71465154E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90028353E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19206574E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28988008E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73011158E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.62404365E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.61015158E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81113222E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.51191306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.19089158E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92040197E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68117510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.85063897E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.81536027E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43464918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05160436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22036083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.10581277E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09943134E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31660744E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27389211E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.77011148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.40324762E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48286099E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.10550500E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.57520427E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05972300E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.97735881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54313815E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36712631E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.62608209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.32982910E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49364857E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43733765E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.17195337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.61890960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58634757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39572680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.39327270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.63147721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.17330660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.00333260E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.58516460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.75149780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-v2z.1.element.json b/basis_set_exchange/data/dyall/dyall-v2z.1.element.json new file mode 100644 index 00000000..77f0be22 --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-v2z.1.element.json @@ -0,0 +1,600 @@ +{ + "molssi_bse_schema": { + "schema_type": "element", + "schema_version": "0.1" + }, + "name": "dyall-v2z", + "description": "Dyall's valence 2-zeta primitive basis set", + "elements": { + "1": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "2": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "3": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "4": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "5": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "6": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "7": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "8": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "9": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "10": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "11": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "12": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "13": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "14": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "15": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "16": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "17": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "18": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "19": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "20": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "21": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "22": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "23": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "24": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "25": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "26": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "27": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "28": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "29": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "30": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "31": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "32": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "33": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "34": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "35": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "36": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "37": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "38": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "39": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "40": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "41": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "42": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "43": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "44": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "45": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "46": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "47": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "48": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "49": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "50": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "51": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "52": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "53": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "54": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "55": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "56": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "57": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "58": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "59": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "60": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "61": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "62": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "63": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "64": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "65": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "66": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "67": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "68": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "69": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "70": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "71": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "72": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "73": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "74": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "75": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "76": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "77": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "78": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "79": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "80": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "81": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "82": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "83": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "84": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "85": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "86": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "87": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "88": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "89": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "90": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "91": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "92": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "93": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "94": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "95": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "96": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "97": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "98": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "99": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "100": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "101": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "102": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "103": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "104": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "105": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "106": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "107": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "108": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "109": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "110": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "111": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "112": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "113": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "114": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "115": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "116": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "117": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + }, + "118": { + "components": [ + "dyall/dyall-v2z.1.json" + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-v2z.1.json b/basis_set_exchange/data/dyall/dyall-v2z.1.json new file mode 100644 index 00000000..ff203d69 --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-v2z.1.json @@ -0,0 +1,95797 @@ +{ + "molssi_bse_schema": { + "schema_type": "component", + "schema_version": "0.1" + }, + "description": "Dyall's valence 2-zeta primitive basis set", + "data_source": "Data from https://zenodo.org/records/7574629", + "elements": { + "1": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29687389E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24571508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83382422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.00164139E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58629441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99766770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02448897E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "2": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34522333E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52200252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99840299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21385929E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67371603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09005872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27228449E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "3": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35511989E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01233011E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13838273E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21730657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04340051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68402247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36667189E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17762820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.44368272E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82023810E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25548696E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37071123E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67290922E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19202868E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.47386748E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79497017E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "4": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40943779E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.54789411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16522522E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11703084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98836699E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08885657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68769158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04861275E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80904262E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86686838E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31800101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96193922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.48448593E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84445860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02251455E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74948730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71217265E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "5": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31890933E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38381575E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13231718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83973383E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87378723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02925898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97389889E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61011130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27059892E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02704305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25301829E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11445067E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50095842E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09574383E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81570551E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48912221E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.46511210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "6": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.42995851E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25053402E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82743110E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96080882E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56825450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02650296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32774491E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.06582082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.65254808E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28879080E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40303695E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77836858E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32153370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93710219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79198301E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.60203767E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52361971E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "7": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18811750E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75538845E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95938764E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11307086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58959691E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26367612E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66951503E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29793688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15279750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79915698E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76179541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09319427E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29673806E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12932532E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93173563E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31750516E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.26922465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "8": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59925081E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35199842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29060079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48462548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78417313E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68559662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23711537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75808802E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90688830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39078229E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33409745E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45830479E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42797374E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51782600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24175730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72133105E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17766132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "9": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08122193E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04524252E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82912687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91245323E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15619638E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16954416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03372746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28806696E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91891561E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06490573E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.12382078E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87382214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71665823E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95959041E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.72331544E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17227007E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61811961E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "10": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63937466E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84039579E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58347380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39831047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70985719E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71659873E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00621973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88859221E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11904975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82176942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01356529E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34055004E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16482787E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45525847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37825292E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67057270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16640868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "11": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67792806E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30926008E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18110639E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29023939E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05644880E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72817927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39450756E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79319847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75439259E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05162152E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36878648E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63828723E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32237456E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51036063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50295268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08283663E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79319715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35313127E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65632696E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82262627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.51878594E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05385167E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96645265E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77612840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "12": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04215416E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61269535E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90202674E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27577646E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69320161E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01840839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31731851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45704001E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63556906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99737371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49554207E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07697801E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01639940E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07387988E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81457930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49657424E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30731907E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94280859E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97272353E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70895143E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30355053E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89852331E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.88167943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.64065990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96440169E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "13": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22157890E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15957649E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54453086E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02795217E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24966679E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99049065E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07705104E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24983416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36586330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18932643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75866307E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.51081752E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70038076E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26443560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95414963E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.98745273E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60395194E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.65061208E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11056456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00913311E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93201508E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "14": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04052681E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45312628E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16940829E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71719057E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78191231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.85902809E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78633488E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52888958E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12846838E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50246568E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53084395E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29886769E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30667196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65812543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39331074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.59974926E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24463955E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23477396E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95467725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.50710464E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73978756E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "15": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27817378E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76768640E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83218251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04954834E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33885131E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18038894E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52126521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81818021E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94970020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84448181E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39615003E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23961699E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85869276E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.91826403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78899440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00455314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82167337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48745844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.87903897E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12515635E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69960709E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "16": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54184920E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11164907E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54982671E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24071939E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93423320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38737228E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30098147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12522226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83532969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21651914E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35406263E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58029412E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28066668E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.87268972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08585687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11045374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23339093E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66758667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77518751E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40320203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79833420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "17": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83564141E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48976149E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33136839E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44747214E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.57469222E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60909254E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13372865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45295705E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.78828036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61928140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.40489018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95237127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56419165E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05052504E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27850628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17457206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45062217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71836439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49194218E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65501477E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.03155407E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "18": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16279421E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90551539E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18297423E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67123592E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26420305E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84680306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02381594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80283299E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80955209E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05293044E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.55213131E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35714250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94782136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13634523E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54180102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26478698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76934758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76329840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10804371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89399130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.40546739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "19": { + "references": [ + "dyall2009a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23346796E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.78476932E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41007573E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74788004E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16599730E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05465044E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53274876E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20131036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63465610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.55018881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44042570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30864665E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25541111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36798580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.65017574E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73826462E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03617736E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34142339E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31765579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67450904E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05335610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.29680817E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62260554E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.49320351E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46107895E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03419230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00020592E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45810706E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.48574732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26087470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "20": { + "references": [ + "dyall2009a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.34294030E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13143411E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67647924E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42972977E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37198760E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75488067E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79307628E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24040898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06589921E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.83698689E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99960282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02591153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26117505E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90013300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38002180E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62961267E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23652780E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77429159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65134662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16262220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25001464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13409405E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00760068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36741186E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38755227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51056920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65373635E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63106572E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17820740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.60158330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32081131E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "21": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41738427E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41903536E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92827163E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06799578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56326832E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.40053480E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03153468E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.18667139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45940709E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10873565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53794521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18968284E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88489833E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34482262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99786157E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41560858E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15608323E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.81845628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58716811E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41994709E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85244917E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30219949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62543439E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89583018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.70145162E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.90398015E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62427201E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.20758110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40858597E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.44899597E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82410274E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.53918207E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67825538E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56595129E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "22": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59904355E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08220080E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20028703E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75260006E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76723021E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08559950E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28347658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.18272879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87263457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24079581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10726653E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36310175E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56585945E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.24167204E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28581932E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61958016E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58601463E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11258571E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06151204E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60978595E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.65524465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63172933E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10063824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43368165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.67287916E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14829776E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29035248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.17650142E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.11099408E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11587274E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.82718064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17759016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.63676263E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.94276261E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "23": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88945906E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23425746E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49284481E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.48400250E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98392083E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80999884E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54881562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02281940E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30549952E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37962197E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70502486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54357352E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26362284E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.08933533E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55165196E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84096929E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04700751E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25192313E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56525911E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81103948E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50516525E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97932486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24507161E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98934917E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06109796E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37588688E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90307539E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09812314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75717304E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36290735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.72656672E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46226594E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12966362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37468827E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "24": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13028951E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39955009E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80844948E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26777444E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21482853E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.57828283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82909620E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13287460E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76010543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52556093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.33261976E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73185288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98426107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91906655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80646451E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08104978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54076516E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40023428E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09946664E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02404678E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.40339167E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34548422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39626867E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56570418E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15351730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59284618E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51062513E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27670271E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.39818271E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60665713E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.60393079E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73545369E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38970422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58091600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "25": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28370853E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57820120E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.14754996E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.10516328E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46032619E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39168162E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12476279E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24861157E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23713606E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67879038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99081857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92838823E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.73109324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07456911E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05540352E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34126497E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06925595E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55796435E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66542088E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24923598E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.35147081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73085093E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55460820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16468603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24546143E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80219437E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12813486E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45797905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.04999995E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85361104E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.48547948E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00625150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65856471E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.12155006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "26": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45118707E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77207145E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51309328E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.00232712E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72195739E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25460851E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43720718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37049897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73815093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83955383E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.68057226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13353205E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50648558E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15781677E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30156473E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62313779E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63451752E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72556586E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26440696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48702824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03509040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13602691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72039836E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78768226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33743008E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00564974E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.76232139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64398947E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71964740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10661955E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.38284663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27876313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.93871575E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.38275692E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "27": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63169276E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98061435E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90449256E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.95826795E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99949339E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01664042E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76620883E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49845945E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26291290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00793207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.40226850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34753759E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31195123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24219131E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54670077E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92826743E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23865315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90349794E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89770932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73783918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14031561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56159224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89390789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43578317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42972100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20428236E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.41679402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83582327E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.41084226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36718561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.30218453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55517128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23165872E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.69000695E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "28": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82911991E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20714124E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32667681E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09828082E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29530185E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11336562E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11380359E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63316080E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.81355257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18420147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.15694845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57067226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01489878E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32809399E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79211720E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.25834127E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88385050E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09223050E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.56662322E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00208212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25096660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00810415E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07537752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.10989742E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52252236E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39880648E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.09375498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03413813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12580302E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63619982E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.24713618E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.83677235E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53914356E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.98353350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "29": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03758978E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44746199E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77407344E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20655163E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60695703E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21497665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47798474E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77395399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.38806261E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36827462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94440489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80309215E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10183453E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41578813E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03854960E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61513789E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.57239731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29224971E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27247632E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28017782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36718929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47612718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26503830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81083339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61595462E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58972602E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.79468770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23937001E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.86598286E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.91424038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02200580E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12440496E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84632713E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.99320662E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "30": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26747490E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71105177E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26192938E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32395406E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94321251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32412700E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86763519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92399027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99734993E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56276938E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07796221E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05767637E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20579026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51791203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33675189E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03597448E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37444683E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52380423E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.08688578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.60076691E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50132696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01872232E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48276318E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.59036439E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71168243E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77340544E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.94217597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58060338E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.12281452E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41834351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22183430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85370795E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.29706214E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.66610901E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "31": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53393780E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01895586E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83285650E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46132080E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33631952E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45157280E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32161744E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09781232E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69253704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78236187E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17396176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39595177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36900330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01619295E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35445663E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.12265211E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04125569E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10993408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11520023E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42424276E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85498567E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.69458328E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14658456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19940686E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39820927E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.51562571E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23474619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.60838769E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29999784E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.07899106E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95065344E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.96231835E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91389544E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "32": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81751730E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34730369E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44026065E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60691681E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75135539E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58563409E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79749083E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27937937E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41654307E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01238979E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27489877E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75624900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54617527E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54786891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46052718E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83184125E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17093418E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47659896E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24278408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.92665014E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06827795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66977158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55761073E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37832276E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93966317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.41712236E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42828940E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.18532206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51670034E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.98781134E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34286056E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.62070416E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43551427E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "33": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12433336E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70089365E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.09073834E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76195211E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19096180E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72695276E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29694027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46916828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01707962E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25284663E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38072306E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13706450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73598747E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11494199E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16970807E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60866375E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31073090E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86811211E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37819778E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.45796177E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29356558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69590458E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99224595E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57217638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59097324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05285744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63399733E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79699638E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74693862E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.95636942E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76398160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04220715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02713194E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "34": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44182887E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07068138E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77244849E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92426126E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65024729E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87425360E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.81631156E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66608978E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09522841E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50346902E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49130743E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53761700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93762065E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71820397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40721423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.41469836E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45355104E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26408063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51422736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.98886667E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51773684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07012630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42319557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77020284E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28396295E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27540235E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84809810E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43191300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98619765E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96442614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20429727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23191148E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.65720969E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "35": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78958133E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47177995E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50617210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09773970E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13808262E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02984561E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36219834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87212821E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17667917E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76490147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60686781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95782770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15077460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35777194E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65871691E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22636816E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59529212E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65309949E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64692205E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50352075E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73373645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16494781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.83745152E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96737053E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00650311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50759924E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07075719E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.09053896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23455412E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.01205758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66355605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43085343E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32158952E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "36": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14098736E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88473543E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26640299E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27776348E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.64418072E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19109855E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92722388E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08512335E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26083423E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03665991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72720374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39736984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37509131E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03394409E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92437314E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.01590791E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73131083E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02261944E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77201567E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.98507883E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93416011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25014174E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21990010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15741984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.74981830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74772323E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25939509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.64569801E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44283436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.88093527E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03887103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58810227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.65251237E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "37": { + "references": [ + "dyall2009a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19635264E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95185268E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87418244E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46021632E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24593817E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38817217E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.97244830E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91561348E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82494503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34934243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47589918E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03412778E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91644514E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38934163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34534143E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39272605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.10622351E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51565722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19505930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18224075E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45122358E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73849877E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13038413E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.77048619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03822935E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19282693E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.04398842E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24056742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.58812594E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21889631E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86157791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.51249400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31308269E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09882700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35878058E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29313328E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92346311E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15468718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33767148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81807563E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96570358E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48160781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44919987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31308269E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52240840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "38": { + "references": [ + "dyall2009a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33040464E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17820441E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.36769195E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58723283E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61892389E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50982015E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.40460883E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08024771E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48931577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63023306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59909815E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.61625372E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19274323E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51773615E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83906209E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64914458E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23945441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18364589E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57654590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52582726E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29762764E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02905846E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59644277E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.97247387E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43302328E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34278617E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66766122E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52411443E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10542882E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96103740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24113841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08239113E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08061783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52552630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.22782563E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22690315E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33267649E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27365286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79046900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01243698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.85648167E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90027701E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64080283E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.95251237E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35481100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15773688E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "39": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51842146E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34580477E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13688574E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92930297E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.68989746E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87248835E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03524133E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.00315190E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64061162E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05650418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15892518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44957297E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08536580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97252838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44898648E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04562563E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80277639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.34352146E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70326798E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73835672E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73333957E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27720241E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98850649E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09676947E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75599727E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46425247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16902439E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72251797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18146007E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30786688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41592236E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.12078845E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55157071E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80675520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71911945E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.36710384E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57343871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.94444107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51444951E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12376257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.06201960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22752100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.28852074E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86905339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.90967784E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.43324450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88717700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "40": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66261600E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64491645E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20995401E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13019791E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.30426785E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07789483E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10935086E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28841698E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75662621E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.55065637E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37750324E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54867099E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52391836E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19319747E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55882526E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.51594466E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05021335E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.38422853E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17692628E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71573813E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06051300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53147576E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38593352E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19646443E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07670469E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58409616E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66133225E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93713975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27646908E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75536584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63404421E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01538082E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98177907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72340080E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95586643E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71428443E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67337655E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.32101374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67571344E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19744072E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.41600488E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40491557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.08048315E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.27333380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06070111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.72998380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28998460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "41": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75878601E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87797865E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27031186E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30099485E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.83524153E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25713585E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17439194E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53964221E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85903130E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.98781914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57161560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63730199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90587683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38223133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65292999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.94367647E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27730375E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02475501E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43062316E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33718011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94903608E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73329804E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69730148E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27334189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32069799E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67419731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02724192E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09462199E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34448574E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07422990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78865734E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10651536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36702129E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.49875377E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14810912E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.54435959E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62392007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.11852315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58277942E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14795285E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.16345120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28354886E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.75540311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.11593617E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.81660004E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.49721600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18902490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "42": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83058379E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09275156E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32985625E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47536507E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03889211E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44671709E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24388723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81010769E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96991676E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46322794E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78328455E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73406997E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33230130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59526073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75941755E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41776411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52952040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13033758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87015435E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96270368E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13525164E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02212236E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.14151971E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38269223E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66755743E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80248048E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55015578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32114883E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44360139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53847361E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01093462E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21059204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78587598E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02636224E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33412455E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.86959636E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71727603E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46816981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73102912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21406955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46937997E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42362611E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.61420781E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.51157705E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13119386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.75480140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42226160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "43": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98243832E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.42123393E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41263189E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70748734E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11076583E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68873582E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33152391E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14789692E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10727535E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04760483E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04122752E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85077975E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.86079726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86174507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89190567E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.97460107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82476337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26456928E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.57723601E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00970508E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81047930E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43124287E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76707871E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53562355E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15073580E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98090543E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27831599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63804352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58508516E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.20043622E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32951159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33497729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.26297210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10644282E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52385001E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.78961567E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98128178E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.47599886E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16801898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42034118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.47562051E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93085911E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19846284E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59033189E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56831772E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.02895210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25818730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "44": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03812002E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60075871E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46399959E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86025726E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15963951E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85647285E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39296584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38641833E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20474722E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46440287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22680281E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93597275E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.21597041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03495589E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97916502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39892076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05221322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34939869E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76530492E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.10344257E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46272683E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68472206E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.14839154E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62679393E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43300979E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08323955E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.68799503E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81212317E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65843297E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.54355943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48978870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42811912E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.64580269E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17028266E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67067178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.59575079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92507537E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.24651393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06142742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36211805E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15577688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72493206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12938004E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.27349293E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42057850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.33445740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90509460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "45": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14936331E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.86698984E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53427142E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06218571E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22303683E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07153699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47111213E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68792157E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32733027E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.98585898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45732886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04076251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67384737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26205521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09269667E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90764050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32319952E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46482930E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23436678E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65759476E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62654771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06381666E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.71821328E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76291546E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85501053E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23674234E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.30649259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07796729E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77495679E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08816346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74867630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54256489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09194240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23961866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82710925E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.00795941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04262319E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68700502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.24883913E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44674853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.55265587E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90038094E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21821316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66483823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56775396E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07042480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15634700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "46": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22501375E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08868563E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59711213E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24932399E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28307222E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27805318E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54687128E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98222613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44757500E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04992384E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.68502068E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14462761E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.12558043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48566335E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20501797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.42145888E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59740257E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57990828E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69465867E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02031854E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77422908E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34041481E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12852956E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85908587E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.14790185E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34157570E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.72179934E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25277199E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84788802E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.42960080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90097246E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63382283E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.47089065E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29882932E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95406796E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.92813364E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01911419E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.58423647E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.19806432E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41645414E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.37983417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74495340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13953861E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.25395601E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36462187E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17179810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67287260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "47": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32627709E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34385212E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66641639E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45181262E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34729495E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49717156E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62672078E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29062147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57293165E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10320078E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92032862E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25155782E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.58786723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71375422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31948630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94563972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87663809E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69830415E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16532998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06561021E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88743699E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.93286699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.01125787E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06723381E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78726782E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57290096E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06527175E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65430862E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02833211E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27018045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31021780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78478971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02501633E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37585114E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12471047E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.92098491E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30197607E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.65820960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66241210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63442311E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.44068013E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30023570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41018351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.49023252E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87410030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35676380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.70459630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "48": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35489719E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53264160E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72999067E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65687576E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41634628E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74258706E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71890494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65518177E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72396068E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16836154E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.21120410E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38463001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02064111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02571146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47549182E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06064166E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22885632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86296961E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03171999E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34596600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79366275E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58689516E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.97835528E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29254070E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.47251192E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81904394E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16389591E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07928428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22257361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01643302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74039724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94121095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.59796223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45505666E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.29142644E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.90961058E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58204098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.71801469E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11992952E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84928640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.48920451E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84396304E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67489881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.71986470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39125379E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54575320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.86147360E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "49": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47385919E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.84746953E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81845148E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92160052E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50183486E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03830604E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82783592E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.07947323E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89756257E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24246788E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53880248E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53316236E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09014545E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37405939E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64745385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13185663E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60695039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03797049E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.97637569E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70387417E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30363231E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52811632E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31102862E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48315297E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69249982E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16342890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50226953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08979898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96529293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24311921E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04552603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.93647170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08406173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.38431026E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88292155E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.50115276E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21604575E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49566731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31845522E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.62844092E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57312214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20908676E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75825571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61040238E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12466116E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51079303E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50882920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "50": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52454474E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.06913583E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89030230E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15164594E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57917873E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31299541E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93090892E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48643551E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06581053E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31489101E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86133042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68053609E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15960596E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72055564E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81847965E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20444518E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99464606E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21813817E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96628933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06852767E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.81075870E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75024680E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62827500E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16829182E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88575085E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81964315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75536358E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19641083E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44395323E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47637780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15612755E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49201008E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30932764E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.44728464E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21380094E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81775450E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35467891E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.88072853E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46260893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.24965159E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86563738E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35268000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.48705608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97708822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30747793E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.38655350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84430760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "51": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.63134065E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.36845994E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97735147E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41778775E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66635891E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61734474E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04366457E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92710090E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24642723E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39205923E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20277009E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83575206E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23269536E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08236360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99592243E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27965036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.39705264E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40357154E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09988836E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44704564E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36768848E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00137952E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98583849E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93385476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09933878E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53837270E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03065872E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31189362E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.96180158E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72946125E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27429080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07654083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54816358E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06056905E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62801937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28808970E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49993943E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28185737E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61218619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.89311912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16808458E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50116370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.24046742E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35932073E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49989506E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.31672285E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21234800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "52": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60876438E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48185531E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02935319E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60649984E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73423633E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86865858E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14064360E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31765178E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41026858E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46339902E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52363087E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98384036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30289566E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.43051359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16829645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35535279E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80430789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59330173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20660620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84056038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09830964E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26468078E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35991490E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72803459E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31840208E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26824561E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30800651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42756809E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.47839168E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97970683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38969575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64134641E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78449372E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17847600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06494951E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.81746816E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64872625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.69035378E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76389881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.54443007E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.47355997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65110620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.00141748E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.74770432E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69671413E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.27350979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59354130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "53": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76716569E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85780213E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13271716E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91444786E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83355348E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21146979E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26645336E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80519941E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60858100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54755208E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89378471E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15140312E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38182652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.81673701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35643795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43531864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23366317E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78850745E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31752658E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24888716E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26580436E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53817535E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74699676E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.54270467E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54055332E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.00086660E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58408502E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54196337E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.98648702E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22303175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50109163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.18477925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01682750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29734703E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51707219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13965453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80142819E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.10725112E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91813939E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.20523022E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78288870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80291432E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77223438E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.14272362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89787537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25505789E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.98523850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "54": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79578326E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04292743E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19959406E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.14117878E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91258945E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49876195E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37589185E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24138595E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78988485E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62580877E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24292309E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31147981E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45745038E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18803328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53927479E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51571648E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66704355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98773483E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43153305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67400732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44011855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81773747E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14212882E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36856349E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76346063E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.72894041E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85623880E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65397231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.48094176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45694513E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60788107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.70648406E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24418792E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41638808E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98205340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30222232E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95959651E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.53672740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07645956E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.88217231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09925340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95816201E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.56107055E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54825152E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10524778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.27044060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39242330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "55": { + "references": [ + "dyall2009a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68419928E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18980184E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13233512E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26210348E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01195802E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05703979E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96053805E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56998282E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53680880E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84080566E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28172758E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97552533E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85230780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28932128E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44333030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25379732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50895198E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71419575E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18814233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54643756E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35368647E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88057238E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30668254E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65874195E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22338533E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60395294E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.11403691E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76882809E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99557987E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69836616E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56615246E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77727290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24808163E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83470957E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70830478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30927539E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31972955E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98545497E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38364515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70307672E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76200270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.78294801E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70563336E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09816303E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16459539E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.09062810E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28015640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.75322604E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.50712635E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15941202E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05894267E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.08524294E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38315250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06776607E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09235869E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30561828E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "56": { + "references": [ + "dyall2009a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69135026E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20875112E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21908096E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.59870904E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.14098597E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10732938E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16265510E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65400398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89819498E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00136666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35519711E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32015031E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01640318E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36783470E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.85138447E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46582573E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60287514E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22436037E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44204041E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69301170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08378872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35433888E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02287926E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54603122E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94599612E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.55049701E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.46016392E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04569860E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71527558E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92423617E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38387377E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10641287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39076086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48896961E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03626404E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47797558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.28441861E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43669317E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60818329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73292126E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32371109E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00957254E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28336771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02508389E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37019409E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.64271343E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.48233394E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06158806E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.90999707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.35781807E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16020581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.61444245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65873229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20882023E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79742212E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61936729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.53099028E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "57": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77165338E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24013118E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33350986E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00069311E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29083179E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16423018E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38724811E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74610527E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28995141E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17368626E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43332896E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68361366E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18821458E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44968340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.27326057E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68253536E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69878537E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.74326996E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69309920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83772195E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.74640131E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70300834E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.45962386E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28221473E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21925924E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75711517E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72077418E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00457537E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26808244E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22066404E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.03870757E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23317269E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04099872E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00704251E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42811868E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21502569E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.90635856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.91276098E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41488463E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.84793873E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44835287E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76986554E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14413791E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.80149986E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.79462129E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90332289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24190888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75626808E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77956316E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37738791E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.78674241E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.28206399E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54076751E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.57082185E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40854139E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.89842521E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.45269900E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "58": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82747627E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26315591E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41959183E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03177812E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40553603E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20781049E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.55893404E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81625334E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.58697652E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30375243E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49209548E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95692764E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31848413E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51071529E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.58069455E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84173139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77718280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16147376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88785412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93224415E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04052178E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82329522E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61968519E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33860359E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33420489E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92206987E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05579327E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08856257E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51845342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30695241E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37153564E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37301759E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10350552E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29976217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56525567E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28266734E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23356279E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07222880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48906944E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.12512708E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55027415E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.94901655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19640756E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93427825E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.14404048E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02926315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29480316E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.99956074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89729020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43649794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.07746494E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.42141538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60227623E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.76194762E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46962789E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.05358741E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.95268772E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98956519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17114131E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.94920138E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.08590602E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.38090495E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.97149435E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.02209963E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.41154840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.84871770E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "59": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86883776E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28111315E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48805368E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05670390E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49786369E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24291607E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69703425E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87249858E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82406963E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40702918E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53852358E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.17235179E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42174752E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55766972E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80980170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96109515E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84337477E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.50622562E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03760837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98513156E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.00844004E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73216961E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96588572E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09787542E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43094841E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06072918E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33571504E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15801843E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72269821E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37632734E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63542405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48234028E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15174624E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52297276E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66582384E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33007311E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.42173819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14735968E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50774122E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.05255751E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46704575E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51921949E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07334488E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07421849E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.51108591E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16127875E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35018730E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25414149E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02053376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49836471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.38215251E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.56729610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66676810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.96696088E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53492688E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21780265E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.53102916E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.83430759E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10386278E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.59551995E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88669501E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.25419325E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.41216336E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.05128561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.73613050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.29340750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "60": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91960417E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30288379E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57159637E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08739088E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61253475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28688121E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87134258E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94401183E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12761723E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54010513E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59865643E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.45185358E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55491373E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61988575E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12174063E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12263271E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92426689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.93561196E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23618786E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08005530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28917364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84226847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09300001E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14263985E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56009152E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24669640E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71270146E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25187665E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99933800E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47051521E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99480304E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63196534E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21810934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83169788E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80949666E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40058419E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.75959116E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30996386E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58218082E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31785482E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56017993E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.67403878E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11919582E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.21151433E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.86972367E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.28987632E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40398277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.50085160E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13966209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55798625E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.67292055E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.70451778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72590953E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.13540073E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58198229E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.31470491E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.18305837E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.05830514E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19554852E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.00000751E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.06244396E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.96687310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.66053151E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.26513607E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.03288990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.68510500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "61": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92678520E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31621728E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63550335E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11307256E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71343240E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32679589E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03302671E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01137507E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41685622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66803564E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65687536E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.72412644E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68548988E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68130931E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.42946578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28245814E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00587195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03684475E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43725680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17556533E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56843795E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95108925E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.21900507E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18678427E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69699875E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44477251E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11448198E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35166595E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.29194871E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56954710E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.37060369E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78770175E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28690879E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.15060964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95755800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47314614E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10716017E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47660431E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65821000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58354478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65234196E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82717378E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16428270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35128339E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.23352864E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41999964E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45831305E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.74967151E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25969894E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61796997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96435153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84118383E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78426523E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.29457403E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62333197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.38800270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.81090003E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.27343800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28363363E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.38698483E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.22932657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.63566892E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.88930549E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.71567543E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.32314980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.02318920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "62": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85300668E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31353563E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66104203E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12864621E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78548130E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35789769E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.16614593E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06897381E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67109772E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78288819E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71003709E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.97642934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80833476E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73997422E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72342556E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43603496E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08719407E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08001709E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64027819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27156206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84853256E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05952156E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34484160E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23062682E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84060872E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65428689E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54053274E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45737046E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60062560E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67346436E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.76298243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94961540E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35817638E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.47987421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11010114E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54781348E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.46478624E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64752181E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73597267E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.85095520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74415459E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97993569E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20896308E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49368960E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.60291434E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.55178933E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51323288E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.00082552E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38074576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67836726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25680546E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.97755448E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84201151E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.44531491E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65958030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.44047221E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04243499E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.48322528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36953556E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.76302950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.39042742E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.27447784E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.10406185E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.99005200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.61136320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.35774080E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "63": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89538554E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33287042E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73884430E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15817255E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89847350E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40195017E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34289393E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14207805E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98303716E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92007158E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77212419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.26522990E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94613591E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80455651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04568108E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60292468E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17260086E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12513662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84878735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36990352E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13039061E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16846210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47108616E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27446778E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99716265E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88194004E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00204494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57138047E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.93149227E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78408859E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.17807165E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11998913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43282388E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.82333208E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26860587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62520609E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.83526638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82407646E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81610843E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12206697E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83633868E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13374391E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25370404E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63907097E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97872972E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68554140E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56886633E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.25489024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.50308865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73932232E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.55108470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11409136E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89941238E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.58904056E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.69136304E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.47451561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10292744E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.68977016E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45410131E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.13207092E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54759543E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.89166108E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.30817387E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02652387E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.89399590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.69244370E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "64": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86936086E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34069710E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79545439E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18412129E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.00811759E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44741945E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53346270E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22354506E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.33996124E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08050625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84606416E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61398933E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11377417E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88556678E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46053105E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81937295E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27539008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18026024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.11501315E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51385210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.76006199E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51963905E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60988399E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68478875E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20365964E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18566899E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.62213196E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72529370E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37925518E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93400563E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.74146650E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35185478E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53465903E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29246146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48997842E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73617507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.42554096E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12524934E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97291666E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80418851E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14666579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.01632546E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50228106E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77728178E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03344762E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81169286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62113244E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.49274575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.61718508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79588645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.81970128E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.23594361E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94843327E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.67397818E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.69672492E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.40933153E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26562245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.25447039E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.69101420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.23611604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.07455908E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.23625524E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.35338874E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05171445E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.23840100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.91845670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "65": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89674011E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35438026E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85294705E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20643787E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.09462147E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48133330E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.66964004E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27970336E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.57825595E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18453707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89278376E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83025182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21764764E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93287830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.68489361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93440491E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34646612E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21694404E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27579368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57069988E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70453127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38884860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72675416E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36260508E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33843599E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38259672E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.01922337E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82214123E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65468332E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02389755E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07077253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48388746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59132312E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.54873463E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.60208126E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78766381E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.61322898E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19346832E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98323141E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.67668195E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02261707E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44707342E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34372708E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.93958832E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07517073E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95963309E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68255754E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.77301241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75226266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86319918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.14676288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38866030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01375875E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.85844028E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74298991E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.49315458E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22274557E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.09809912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62121967E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.85836365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.85447810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10809193E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.69253717E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08638020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.49742470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.06910440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "66": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85718835E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35634488E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88755490E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22445586E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17501789E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51562926E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81571822E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34270145E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.85536530E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30920085E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95021198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.10142129E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.34916407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99570476E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.99726508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09662262E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43424252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26331841E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49393316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67311108E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99848619E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50094097E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85656369E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40700689E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52309351E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65642435E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.57740050E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95960556E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04905075E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15368207E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.55027250E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67805976E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67541569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93163691E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77744074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87291129E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02173047E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38677123E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07039817E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.96121233E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11714367E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60788264E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38940301E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09519081E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11500034E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10035394E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74076858E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.03774939E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.87941466E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92627795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.44903388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.52720560E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07099548E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.98570267E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76356675E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.48057842E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28251614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.30146426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70440655E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.21853619E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00557214E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16592940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.87537462E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12411948E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.79772240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.25551900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "67": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89091894E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37295864E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95866148E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25262796E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28631707E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56001877E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99679460E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41846736E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01811734E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45317077E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01553854E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.40562720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49454559E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06425640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03374825E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27231546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52631358E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31179280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71860144E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77852109E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29780447E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61497475E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98802033E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45183344E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72351204E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95321330E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.18121984E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10785559E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.47224522E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29209364E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.05858347E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88282279E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76369309E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.33195482E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.96017459E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96157277E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.44712126E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58765983E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16084632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.25255959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21323494E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.77286419E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43586635E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.25447826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15564324E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.24359953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79991515E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.30636251E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.00831033E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99012848E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.75432110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66664291E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.12830362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.10801420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78068619E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.45369806E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.34239236E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.50499582E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78762478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.57800663E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.15570623E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22296058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.05312827E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15742788E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.09790340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.41687560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "68": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92268980E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38893958E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02810159E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28042383E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39694823E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60436389E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17831078E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49458115E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05088743E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59805488E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08128743E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.71178121E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64091487E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13337031E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06796876E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44866890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61981866E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36100107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.94749542E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88587111E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.60317940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73093352E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12132672E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49707850E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93657606E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27036348E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82731528E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26632973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92304439E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43877465E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.59443281E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09767174E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85594484E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.74878264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14995550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05352129E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.88886489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.79582521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25438695E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.55058631E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.31090104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94251536E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48319839E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.41762342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19713972E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38950007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86004830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.57907614E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.13905464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05480154E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00628977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.80713032E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18576873E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.22579722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79454494E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.41332166E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40247797E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.70905730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.87101892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.93743190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.30519032E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27932814E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.22639195E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19545942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.40092920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.56074430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "69": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91592108E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39669620E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07671325E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30255512E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49119308E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64370464E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.34379969E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56533025E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08178690E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73615718E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14448820E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00081145E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78360881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20134697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10159646E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.62200327E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71374397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41048849E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17973655E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99482528E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91514937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84895833E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.25669171E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54279139E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15936615E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60534687E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.51232511E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43445496E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40018936E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59335390E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01564700E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32205455E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95193393E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.18108114E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34637547E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14857987E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03460482E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01077749E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35075113E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85502933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41011012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.11711332E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53139630E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.58473986E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23951451E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.53812809E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92119321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.85598353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.27168098E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.12030821E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03748083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.94869744E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24340545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.33901834E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.80516481E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.35971485E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.46285417E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.91393142E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95470107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.29731938E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.45426366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33514216E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.39562294E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22280806E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.70767000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.71564610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "70": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87148847E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39601904E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10291279E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31831112E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.56614387E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67687226E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.48850323E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62873290E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10996886E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86377573E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20349508E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02872271E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.91933351E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26679818E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13390158E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78823355E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80705312E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45974485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41445953E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10501748E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23392303E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96898929E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.39428583E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58898551E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39128349E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95822826E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02373676E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61264417E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.90503016E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75626630E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07461702E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55651360E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05187575E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62976410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54988642E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24697591E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08200236E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23312464E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45020865E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.16660893E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51112309E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29788020E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.58071180E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.75587491E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28277524E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.68949579E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98335032E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.13707032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.40617489E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18663782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06899927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.09132252E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30120297E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.44748540E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81250944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.29297214E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52358461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.11983767E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03875741E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.65805353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.60310594E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39048521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.56116586E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25886877E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.01857500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.88485980E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "71": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90829691E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41470444E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18721744E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35323010E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70920485E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73558594E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73368970E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73331785E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15566925E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06843308E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29735204E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07271468E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12910665E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36747961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18536387E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05803875E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93361596E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52697315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73185531E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27206734E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96056799E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39944768E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.95546641E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15189240E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73654676E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48506906E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13247529E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88127183E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66973978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00403790E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16466352E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.91629492E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20594128E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03235989E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87207549E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40730485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16889082E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66439126E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66781267E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00169614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90116891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.45512386E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89815034E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91779330E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32352927E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.83152178E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04141147E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.39847241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.53068965E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24763303E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09743984E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.21637698E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34887302E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.47472067E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78233672E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.07718041E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70012443E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.72997174E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29587582E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.86056222E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.17796194E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.66013780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.71462046E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30708647E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.88094770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "72": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87243620E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41747200E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23014121E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37667402E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81866404E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78398974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.94599764E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82709032E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19770887E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26033100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38671918E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11515966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33408344E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46789234E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23689284E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32869178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06199999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59522134E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05539380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44481225E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06982592E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76938206E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.15394996E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58677096E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04973289E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97166590E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23354351E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13115701E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.37840415E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23196460E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24680285E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24178262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34433429E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09434670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15964591E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54996328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24423228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.03368783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85383465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08167322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26117130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.41138698E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14783426E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23277679E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87119865E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26122724E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37529808E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25369758E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96118835E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40215822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.50211299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.85832931E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01462091E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.36693168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.61593723E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33440437E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.91613381E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23907453E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43875053E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.45958282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.80705282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12799602E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.85475487E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11953270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "73": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90224267E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43339132E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30499750E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40860425E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95238995E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83972935E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18138995E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92828894E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24216699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46007117E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47848878E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15823580E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54014985E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56744236E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28747806E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.59273050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18979924E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66340117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37889068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62115576E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14561827E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15254061E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02452703E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93051986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.41609118E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.54185323E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35207978E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42422983E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02081615E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49791299E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34225135E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61859909E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50410598E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16580274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48814775E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71166732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32915558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44144291E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05646937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16517745E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.62120027E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02664742E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36038552E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39750237E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.29704239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41266965E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43817485E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.54023040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09895688E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47017949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.83553925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02518574E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08755428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.76593302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12421518E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58359409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.76728716E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.60567724E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61180870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.32100976E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23704754E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33572913E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.74766339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40593440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "74": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89486040E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44070221E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35631737E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43373452E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06548025E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88892006E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39513348E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02204600E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28397456E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65005292E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56656019E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19988485E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.74088445E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66527833E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33720973E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.85279739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31821033E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73209945E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70741883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80272419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22469783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53733588E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12566398E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23961480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.79971658E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.14887720E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47921399E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73960360E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11009280E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78314170E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44416267E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01916443E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67337534E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24137402E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83671290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88291858E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41881361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86533841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26623219E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25130227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98501311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10731145E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55460066E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57423197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.75233417E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57425265E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50519306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.84571992E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.24602555E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54322894E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.19626846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20850876E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17362261E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17928550E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28319855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.82322994E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.58440682E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.95772430E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77787614E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.14859992E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.65176667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53726808E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.61430649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59256210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "75": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88559525E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44706943E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40419732E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45778202E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17541137E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93723958E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.60666531E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11531516E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32571409E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84018438E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65484404E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24168515E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.94265499E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76384816E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38725713E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.11444138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44881047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80205937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.04250506E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98997023E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30707491E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92741908E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22193649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52759578E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.20757048E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80267194E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61694479E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.08211391E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20700434E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09173362E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55391672E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44861897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85423872E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32199249E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.21064318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06617748E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51454548E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31041930E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48552798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34048666E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.35588998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18513934E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73670806E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75641127E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02198342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.73969296E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57367949E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.15750058E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39607822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61776843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56543559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39798385E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26490901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59750744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44037681E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.05940194E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03883228E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.30377829E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.94095450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.96137545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.06003639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73647706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.47139292E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.92373800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "76": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84125258E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44503814E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42839448E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47483755E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26379383E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97863824E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79516346E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20067941E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36467232E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02031757E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73946740E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28213126E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13960173E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86093142E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43663912E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37357275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58020956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87262460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.38274099E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18205804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39266806E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32460823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31531302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80245999E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63097397E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.49564321E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76435825E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45053728E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31139044E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42347769E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67147514E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.90685097E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04668433E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40769039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61104476E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26176937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61640026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77606455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71420645E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43272601E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73510191E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26131810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91026232E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94200435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06942094E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90704888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64280669E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.47164194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54714283E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69269087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.93709403E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59028324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35907036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.01883704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59699321E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.29395263E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11858306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.64688740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.10266663E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.76801688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.46633266E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.93549267E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.32851638E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17768010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "77": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86240443E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45733454E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49087581E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50308248E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38751186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03189396E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02552416E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30144272E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40949280E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.22342920E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83333232E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32637599E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35231652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96450409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48905039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64707995E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71687305E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94587421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73252373E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38075762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48134344E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73039215E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40696570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06848198E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09940639E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.26349664E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92779539E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.85880292E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42681909E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78873895E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80021216E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40603962E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.25551719E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50051704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04777000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47383843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72631715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26900882E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95518753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52857591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.12544673E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33700784E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07844370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.13017941E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11732959E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.07553432E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71223925E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.78654744E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69841212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76754303E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.30876302E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78391760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45512934E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.44288137E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75374449E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52899412E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19840640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.98999182E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26437753E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05750412E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.87368019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13564606E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.19145346E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.46251920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "78": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86523222E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46509179E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54024629E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52743078E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49936115E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08144309E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.24407556E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39837555E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45305725E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.42240054E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92583522E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37018241E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56384276E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06798748E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54143442E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92090504E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85527318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02016600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.08793459E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58422757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57298428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.14480876E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49761303E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32813552E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58812096E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00793453E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10295974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29831050E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55123428E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18167400E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93817750E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93881697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47772944E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59917370E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.51490188E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69898833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84212154E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78007220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20472312E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62738023E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52530577E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41228970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.24167938E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32044309E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16558301E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.24469348E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78178267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.10128713E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84941157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84205784E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.67894135E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.97790975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55252941E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.86934064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91099852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.76572611E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27871037E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.33480736E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.42690393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13864676E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.28400791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33781163E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.06397634E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.68636660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "79": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86641871E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47205722E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58655973E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55076534E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60812627E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13010156E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46022108E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49471948E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49650967E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.62133979E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01847450E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41410537E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77622614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17205973E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59406918E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.19614087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99569716E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09561152E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.44951963E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79255281E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66761501E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56928335E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58858219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58685362E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09851036E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09449144E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29019969E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76987962E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68483838E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60271592E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08541062E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.50485039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71300001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70343965E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.01063283E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93569179E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96270954E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.30521856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46130136E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72888592E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93419480E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48736933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40065837E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51257515E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21412561E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.41432592E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85135061E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.41544342E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.99992280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91611025E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04686529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17163911E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65092857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.29799134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06895064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00441892E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35960199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.68188195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.59058138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22043037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.69842522E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54253879E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.94858020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.05376020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "80": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81789967E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46710856E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59876991E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56383633E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68471673E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16831854E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.64143439E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57904821E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53573459E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80514197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10564267E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45606171E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98194852E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27448739E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64619814E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47070334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13869210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17300519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.82788094E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01282867E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77097518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.09487289E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69475032E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90513996E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66143432E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19297811E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50675102E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32093964E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84199043E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09949117E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25926161E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.17326364E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99115070E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82712699E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.60479214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21475712E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10334669E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89786639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74702233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83719031E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.36726823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56557324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55705435E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79968951E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28668689E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66880202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95626062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.89419813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.23148375E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03451499E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.63959419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47359426E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80241774E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.01705130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36689729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.24155820E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43982705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.02529845E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.75231004E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30107081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.10672932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74486516E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08471151E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.40593950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "81": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80338285E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47025619E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.63555754E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58527398E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79246257E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21879438E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.87307796E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68480778E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58432979E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03105139E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21218877E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50707828E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23010621E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39805146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70939014E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80173226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30162250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26098628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02665686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26482246E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89889444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84613719E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01065745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.32370907E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37282646E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35721283E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23566782E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36290763E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01480894E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31820210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78798622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90284415E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.15022877E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69676016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75043773E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.44562670E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20432285E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11720749E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01075987E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90314928E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96328877E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.05496991E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00496286E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.59278837E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.80668020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53461202E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.01015229E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75502849E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71843268E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.32163373E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17508976E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11097058E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05041178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.14706485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34214699E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03451933E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21552202E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50267783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.89995595E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.66331967E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.99800850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.21750898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54175772E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.36995778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.40866133E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41384687E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "82": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78790468E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47277856E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66980788E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60593717E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89847781E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26912673E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.10631045E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79208693E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63391338E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26252891E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32169850E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55964749E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48637891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52613276E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77504674E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14632745E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47101722E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35272879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07214573E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52715061E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02746272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.62040984E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32944034E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.68598864E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44315847E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50743314E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60444246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46372787E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31579089E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41524402E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.12587435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03021930E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66820906E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92148422E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85356353E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95192825E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44857645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24228444E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06751765E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.19177307E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09083067E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.71717990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16745290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58254189E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06108755E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73011313E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.67314733E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02389437E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83970261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.91221384E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47577918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27108628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13491680E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.59531052E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58639830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16289182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.85219166E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75459932E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.20138448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76510085E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.43430142E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.42407420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64610261E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.90770330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.68433522E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54783108E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "83": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80226841E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48197988E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72238743E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63218333E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02327402E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32625999E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36570190E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90989196E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68788402E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51276737E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43938033E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61581494E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75851541E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66121900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84400480E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.50651171E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64662683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44772899E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11901610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79784882E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15870772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04226135E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65908662E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00734400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52678508E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68636941E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04560600E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58483354E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67858698E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53250769E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53455235E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18424309E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.29423926E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19320068E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97851207E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.56967864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74356303E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39296309E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13516041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53461227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24108719E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53174998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48293103E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79158225E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14563420E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93479123E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03643045E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30323545E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96540411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.52357533E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78674481E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43647577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22239217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.06071971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84128694E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29733557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52008084E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02232067E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.51023047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86924359E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.88015411E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.63519861E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75278866E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.45836180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.96752275E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.68654417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "84": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83099270E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49430679E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78316183E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66076999E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15531036E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38575062E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.63301741E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03038171E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74276022E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.76599981E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55802853E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67229646E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03189111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79694900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91317460E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86768775E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82455671E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54409112E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16672459E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07428396E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29230811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12470444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99794160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14926500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60947307E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86516751E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48913936E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70700193E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.04504867E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65086424E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.94571483E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33841649E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.91719770E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46207589E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10147178E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01715388E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02831330E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53679474E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20014535E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.86779855E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38995036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03602518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82313749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.04113582E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23256609E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14433523E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10687289E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.58688520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09270647E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01414646E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.10053207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60297016E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31054355E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.53090018E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09916893E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43365559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.19815647E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29483247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.82612869E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97561084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.33493584E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.85056868E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86165214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.02103234E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.25765078E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.82952431E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "85": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84244092E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50209341E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82965478E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68476525E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.27250219E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44042340E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88469174E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14580280E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79601077E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.01410800E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67511528E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72833709E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30437479E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93276071E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98241093E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02297017E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.00479865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64182357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21526000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35636699E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42798951E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20909391E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34586720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29471622E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68580977E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03531193E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.91745658E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82596030E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40346837E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76678260E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34774612E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48856435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05207443E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72117514E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21927629E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07421196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29690220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67152734E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26155116E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.18686221E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53471710E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11839341E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17263922E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03102418E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32162902E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35817578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17845424E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.87406344E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22124347E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07639309E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.41610092E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77000451E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39904848E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.00395005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35866386E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57110943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88260345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56992818E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.14902927E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.08417199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.79848050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.07008509E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97263216E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.59533206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.55444773E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97652644E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "86": { + "references": [ + "dyall1998a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68476598E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46794059E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74912556E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66787655E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.25170530E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44681432E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96160398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.19595350E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82417354E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.16322270E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75224966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76799035E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50979574E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04118111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03907122E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05354324E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17227450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73375318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26282083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.63534680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56553897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29475083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70279586E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44373172E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72824122E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15641728E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.25282723E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92412503E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.70898829E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86765023E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.70190435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62169163E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10574454E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95179408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32404364E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12459428E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53557248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79136374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31728352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48261416E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67263353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19863600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52585561E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15893147E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41613025E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.58429411E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25385658E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.17561771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.35591634E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14150621E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74581199E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.94435853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49162359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.49983429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63156854E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71598621E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.60663337E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86675318E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.47900273E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19493865E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.27081990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.29375191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.08572780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01812229E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.85784113E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12743536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "87": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69630961E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47558891E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79624375E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69317756E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38004941E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50854751E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02530484E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33247507E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88833063E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46686777E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89744796E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83823557E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85366034E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21553074E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12904353E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10053812E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39654059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85668194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32689507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.00408107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76305078E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42154544E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.37356599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90085430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82410150E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02896085E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39926505E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23329240E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40212227E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06185638E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.91488445E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.84782509E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92886180E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05235754E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09333750E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71239751E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.62025844E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56063114E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72502876E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46581820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32526640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19919582E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10856262E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61918066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59914486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20920922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18671296E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58679899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53141920E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64324832E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08516860E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54755674E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.89833144E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35839627E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.59356427E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54268509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23206033E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.20574287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18981161E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62413605E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21563086E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03627378E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93090740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.71728483E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43448617E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06983930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.41664157E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17267788E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.16350256E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.23759816E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.05140277E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.97658782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.73487106E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.06508071E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "88": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.67637283E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47473626E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81458493E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70814693E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46988075E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55558345E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04868766E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44572527E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94280377E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72914089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02452913E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90036868E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16102724E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.37236561E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20994006E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14300942E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60735235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97245603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38736287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35650255E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95126588E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54167596E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01211866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33055832E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.44820730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84469094E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04973308E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35291535E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72784723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15414820E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19411807E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74623317E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23449668E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16213192E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.51126394E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88174375E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.35008097E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89178526E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88234555E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.20490997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67705333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37185370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18258839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.96621348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71455800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26297704E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87116998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00470111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26698430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89898944E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89168347E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68317969E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22106331E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46531752E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01921002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73236053E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32378229E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.67065795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43712613E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75771370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.93708340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.44169368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14602412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.83370577E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98910725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.48466962E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.74557142E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.28282828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.63247773E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.45934069E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16335598E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05563161E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.03560248E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21537389E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "89": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68359352E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48003275E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84916420E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72744755E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57067417E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60505576E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07242240E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.55813565E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99601918E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98229707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14606236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95939680E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45216934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51987204E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28593072E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18308995E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81287834E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08497970E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44622532E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.69990002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13134472E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65484495E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56773494E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65001922E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11047347E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51205419E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45858682E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01630527E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23624650E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44324706E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05486952E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50729469E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25982069E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.88109482E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03047146E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.98564763E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.17800181E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01754681E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.94533658E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09713519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63434530E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32746941E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.80989159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14270819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50327648E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.64401774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36967784E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99445949E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21393873E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.91019273E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12867857E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42245793E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.80948811E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.42380164E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14268761E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08678409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.68995225E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.01295146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57867423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.26322713E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21373081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09944137E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97631255E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17899678E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55437475E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.17278694E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.51846677E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54273440E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07499834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.99396163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.43990871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20202317E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.81485987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.60681354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.92397641E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.24908020E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "90": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63280759E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47049788E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83729497E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73161427E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.62190496E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63828714E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09078724E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65268361E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04331721E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.21608310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26145509E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01660009E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.73860092E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66725407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36189287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22318481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01925482E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19851466E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50504643E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.04616160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30919411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76858821E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11504365E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95974861E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16691654E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89126780E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53765363E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25639620E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30770492E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66580980E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12775339E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75770918E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35003379E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22330125E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16796771E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.57173372E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44126951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14166159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05620675E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40884241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80011333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40861997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23858411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34563005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61642205E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.19544206E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63010847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.73573168E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41882606E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.01872413E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.37965711E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50254223E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01165304E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.55638938E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.20483780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11758208E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84933138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09693534E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62298216E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.50649312E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.34380868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17302389E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03873358E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28795089E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68072574E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.91955477E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.45144302E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18151514E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.16922860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.22732982E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03067664E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.79256292E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.56809306E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83462683E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.77590281E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12569046E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.67663520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.00609730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.95596880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "91": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.66558835E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48135667E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88533739E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75415012E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73061041E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68964971E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11487336E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76492741E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09574169E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46222638E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.37806307E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07249762E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00111603E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80277128E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43055991E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25931247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20836058E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30052701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55461442E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33878936E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44781276E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83454311E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.31257720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97560670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57470359E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67492898E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60296683E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43181998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35719412E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81433696E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17489827E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91496340E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40496708E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42485582E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24610178E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89238513E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57977117E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20412860E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08524340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.55073232E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86974363E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44378050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.42972335E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44898812E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65994740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.28151800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61201379E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.46785203E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34352156E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20123396E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.80386231E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63869910E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06416843E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78508938E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31288654E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17184762E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13245950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.24906007E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70515326E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.95737564E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59100975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30124854E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09618255E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.53383444E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68651874E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.60821575E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.46848575E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18643174E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.17934990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.22829424E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.02683771E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.76276880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.56413422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86546279E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.05940727E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29130272E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.81987886E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.59016610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.35524640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.28360070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "92": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58567332E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46346866E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84272821E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74630608E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73343404E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70324667E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12518551E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82590492E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12876744E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.63409395E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46606289E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11736036E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02416744E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92269481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49300143E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29308402E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.39772461E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40437461E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60801412E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.65613070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61032607E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92251634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66571525E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12239117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.78188433E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74633124E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64721605E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.59139735E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40764874E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.97635680E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22880210E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10139856E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47208143E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.67759694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34640901E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03133584E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76571738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29012237E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12685779E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75860809E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97694718E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49746723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.71900837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59611387E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73339868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57251969E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71891286E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.68086464E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40114143E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34172062E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.12851253E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74209786E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10373639E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.95593590E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39300700E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21170183E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.33901881E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35863939E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76346823E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.27673366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.76281816E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39153623E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13869711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66588500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72879486E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72161554E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.54110776E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20999249E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.26986146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.26707393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.04209543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.82552641E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.59753634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.92041146E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.41428678E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.46308548E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02978844E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.56834550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.52001240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.61889450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "93": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61716382E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47379028E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88829883E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76781892E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.83865117E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75372747E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14923799E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93961117E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18254760E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88937467E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58819422E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17645897E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05326471E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06987328E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56829268E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33286329E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60485501E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51701089E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66469232E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99043055E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77658292E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01178364E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01146437E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26556246E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98864981E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81768210E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72927936E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82128029E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47431841E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18094692E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29498933E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32598409E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55179587E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97435304E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46299591E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07982595E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97821020E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38776323E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17391847E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99145663E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09648358E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55625094E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.03219667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75057379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80906604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86171397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82391165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89741831E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45917496E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48242952E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.45297576E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84511015E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14302663E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12504350E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47209359E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25093571E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.54192198E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.46598440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82043157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.58854072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.92977642E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47838278E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17892676E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78242066E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76243170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.79859022E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.64344766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.24363155E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.40486374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.32746977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.06862514E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.94459711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.65065372E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97810814E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.76148872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.62478979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05800991E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.95426610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.65956470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.93353090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "94": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53832140E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45549606E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84108799E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75710963E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82650922E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76019734E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15628339E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98577763E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20884036E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00302041E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66154828E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21428040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07295882E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17329336E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62224084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36251063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.78061227E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61309773E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71225423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.27781165E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91571685E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07337937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.15365411E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22665472E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09440453E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47938124E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74569222E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.90435838E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50278685E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27519019E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32659304E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43460727E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59018322E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.11464559E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51647948E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10120199E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06749309E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42625634E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19046460E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07040441E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13124150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57619488E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.14555379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82626905E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83640633E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87728968E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76122743E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48682793E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34019175E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.62704598E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78628431E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.95075859E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18324861E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.29788742E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55283539E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29095451E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.74871901E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57539017E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87864079E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.90872283E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.10247442E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56833723E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22094256E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91399798E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80250543E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.91224396E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.29775642E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12673104E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.88282525E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.07039864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.92841001E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.15810572E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.17359107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77249803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.84372390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23835622E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08915755E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.13231780E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.74363050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.87695840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "95": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56785612E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46488299E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88179861E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77642887E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.92303605E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80754455E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17926504E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09592423E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26148721E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02820544E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78268970E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27307167E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10194122E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31953084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69697126E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40208246E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99109081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72768860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76955258E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.61841660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08726911E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16261458E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48422326E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35670018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.24167116E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52921412E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82514283E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13230780E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56984967E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48291936E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39418033E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66459987E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67182901E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41773407E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63489847E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15010197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28012346E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52317037E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23679291E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29860021E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24766606E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63370545E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.45209355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.97812765E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90872098E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.14398624E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85269805E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.68477540E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39157727E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77170309E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.11825622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05550089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22295531E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46784712E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63195664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33003830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.95014592E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68154333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93475195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02154070E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.26505992E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65105706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25809857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00817203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82303845E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.93318928E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.49674222E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19288206E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.15947514E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19904075E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.99111605E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.47527120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.32658158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.85559534E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.24462221E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40125807E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11777526E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.10962040E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.88203470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.22852900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "96": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53035294E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45689782E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86623646E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77625243E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.94915314E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82894842E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19250146E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.16868477E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29946564E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04751349E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87987968E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32197211E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12684475E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44899616E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76419920E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43836383E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.19464791E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83939862E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82640323E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.95838814E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26233209E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25251642E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.81675588E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48719412E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.39271333E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58004254E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87797864E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31274356E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62673876E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66621522E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45532907E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87617614E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74775610E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.70135786E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74600535E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19599040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47942842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61380058E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27996290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.51134646E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35576135E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68784464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.74252139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12553744E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97843256E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40330120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94075516E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87988474E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44113983E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.91882103E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.45568714E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16177466E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26315473E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63954817E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71173883E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36938066E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.15262309E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78812013E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99105147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05231910E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42788571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73317909E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29464746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.09686247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84036909E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.94096726E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.70434212E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26183371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.44796270E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.33334011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.05679928E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.80986873E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.49065784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.94093174E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.64434976E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.56036440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15929781E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.78857860E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.06886770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.51389960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "97": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54536965E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46221633E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89226158E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78991079E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02352826E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86774268E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21221394E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26638851E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34740196E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07091310E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99420501E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37813256E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15483515E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59175064E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83755190E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47748966E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.40828207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95617280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88515642E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03090998E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44173878E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34429561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.15300930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61901579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.54806972E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63200499E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95208090E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53684375E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69450941E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87993389E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52570615E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11755360E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83381550E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02104683E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87057417E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24717775E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.70073903E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71408318E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32767281E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.74512247E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47442814E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74650458E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.05504694E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28026706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05096780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66785439E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03006328E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.08815552E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49280983E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06805433E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.79737916E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26910079E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30363468E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.81197593E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79167515E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40871722E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.35472800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.89431336E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04706806E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08292439E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.58921149E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81372126E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33004091E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.17601711E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85236482E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.92636720E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.91769159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33261776E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.74404394E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.47123577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12436300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01556629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.66217654E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.02776822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.04257797E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.71613275E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21012862E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.74230990E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.20863110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.80329350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "98": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50763308E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45375870E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87308776E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78767368E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03958932E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88470322E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22358701E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33158138E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38238146E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08903101E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08655019E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42499437E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17889396E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71794041E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90337618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51324526E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61404803E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06963473E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94344566E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06586383E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.62500056E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43707757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.49406082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75250727E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70871528E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68542697E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00367137E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.71991722E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75342956E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07240956E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59051755E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.34315193E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91502332E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.32434668E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98899553E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29582199E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.91071105E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80897289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37263227E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96545810E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58583404E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80227851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.35359706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43125242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12132183E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.92702351E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11673349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29381833E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54283592E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22076957E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01464926E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37849991E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34479384E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.98689477E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87260695E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44847302E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.55866508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.00131876E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10346155E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11371617E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75107536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89383534E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36490985E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.24935070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86084511E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.89694986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.13548293E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40479090E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00457697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.61177262E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19329067E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05095907E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.83923938E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.11580999E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.43996897E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.86937905E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24964153E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.56869110E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.36324200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.09422550E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "99": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50901499E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45530426E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88557127E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79609361E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.09318104E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91533016E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24012379E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41686625E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42536963E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11041373E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19253841E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47768550E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20547114E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85534195E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97440537E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55138467E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82974858E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18825772E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00369734E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10194510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81221102E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53180927E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84057927E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88806476E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.87554102E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74059928E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07175264E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93815224E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82139191E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29083682E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66336677E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.59511629E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00529013E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66004696E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11949461E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34918890E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.14010808E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.91228482E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42151753E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.20389761E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70631797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86199320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.67165459E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58902591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19440885E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19293706E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20541501E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.51685039E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59534679E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.37563555E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04999190E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48896376E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38623724E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.16255099E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.95369498E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48822339E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.76224677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10798230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15963658E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14438661E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.91192057E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97278447E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39893646E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.31532151E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86542475E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.85234430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.35643770E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47791737E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03511896E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.75397318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26304832E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08685478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.01996824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20455009E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.83568793E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.02019204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29419877E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.42381890E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.51441680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.37041350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "100": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.45915305E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44339800E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85347956E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78860806E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08755301E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92362567E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24815175E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46933983E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45551170E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12666940E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27761035E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52165355E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22838467E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97746179E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03848770E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58632934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03785021E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30375313E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06345481E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13787359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.00343270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62776403E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.19403898E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02613148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.04784912E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79722612E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11657631E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.11278126E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87977157E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48598078E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73007321E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82962870E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09020927E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.97786003E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24337957E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39985966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35762985E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01000354E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46758557E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.42876530E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81956278E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91887139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.97574520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74281672E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26524325E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.45409533E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29176168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.73735597E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64622153E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.53399957E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08608602E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.60153578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42837416E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.34077559E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03582887E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52842609E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96785065E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21555932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21623794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17525394E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.07327830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05133350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43245735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37500123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86630213E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.79249087E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.57978439E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.55173865E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06591954E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.89731409E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33336456E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12309300E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.20332388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29373218E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.22945904E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.16876554E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.34127661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.40868700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.66593010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.63965270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "101": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46008064E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44455366E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86315961E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79538873E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13285663E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95048686E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26307126E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54788153E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49574957E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14693418E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37902284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57245101E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25420547E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11244501E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10864895E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62420167E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.25545695E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42408416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12532159E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17492885E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19940205E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72611557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55527112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16732341E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22736273E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85589342E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18435822E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.33654621E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95073147E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71701332E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80783535E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10025956E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18751013E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.33995648E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38380561E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45702092E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60197307E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11941983E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51912518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.67886117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94548215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98117853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03067870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90602302E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34010627E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72569344E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38132375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.97828498E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70023934E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.69495180E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12271262E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.71548952E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47091176E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.52021119E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.11832383E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56871661E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.17352518E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32299560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27271888E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20603494E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.23374274E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12881499E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46518511E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42707692E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86317213E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71726908E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.80592272E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.62638274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09702900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.04199638E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40431793E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15969320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.38930495E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38355037E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.62286129E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.31565865E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40087170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.25638570E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.81826720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.92219890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "102": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46077619E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44554652E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87171655E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80151310E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.17489493E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97596832E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27748856E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.62480983E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53554187E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16709746E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.48022559E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62314900E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27994132E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.24664451E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17821302E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66161723E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47522410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54602178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18784723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21248371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39933134E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82624233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.92550863E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.31197202E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41336822E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91631469E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.25228234E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.56396785E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02348186E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.95535703E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88841323E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.38152695E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28880772E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.71703503E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52986230E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51633208E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.85477738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23229068E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57215807E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93542187E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07436948E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04488324E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06448184E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07229376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41607473E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.00148063E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47188076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.23102986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75530113E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.85901765E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15998222E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83116631E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51397294E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.70134109E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20137851E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60917951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.37963732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.43046322E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.32917152E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23677488E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.39359936E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20538632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49719399E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.47179038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85612723E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.62708341E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.03337254E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.70135676E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12823652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.18702872E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47540478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19637949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.57627117E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47330443E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00132207E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.46037817E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45588473E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.04917430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.97333640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.21963090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "103": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43699890E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44020072E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85991661E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80080629E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.19461112E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99493541E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29051215E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70196243E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57821098E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18976590E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59828625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68409559E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31154158E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41517374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26742912E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70992382E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.74020793E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69284315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26706447E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25904221E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.66529533E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97468900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06383592E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75294239E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.35109919E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64051302E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34576833E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89924820E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13467737E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33012515E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01831613E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.84578641E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45997708E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36950605E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78875864E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62408140E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.32618795E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44911664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67807872E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.45093885E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34166793E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17141929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13171788E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37906798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57336587E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69757443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81545884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.32189861E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05056037E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.02204493E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19695688E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94560014E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55645024E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.87956925E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.28294639E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64884753E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.58141261E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.53540107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38407805E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26647432E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.54552016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.27588657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52497371E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.47029960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82594708E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43530699E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.66564801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.91077004E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21752042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.61094491E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.69084530E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30950326E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.19059819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79564969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16250483E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19133344E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52542077E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.66240340E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "104": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43776608E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44112314E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86780367E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80660109E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23637052E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02144579E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30614515E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78823343E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62410875E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21358422E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72036231E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74633423E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34348495E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.58373577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35613787E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75784000E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.00473702E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83954721E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34553142E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30539546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92450208E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12046322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13245906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15527786E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09775767E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20892655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42530284E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19326116E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23363541E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66668479E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13560768E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26609116E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61497270E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.95895657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02149447E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72024978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.74341517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63918740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77154011E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.93304316E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60633066E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31437267E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21213084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81687564E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81325755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10116802E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53081283E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41490828E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90381015E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.36244094E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.11206481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71167072E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08159684E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.80816280E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29844293E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14964130E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.91677650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04593460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58135035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.07766975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02028359E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86433253E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.94567782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43406338E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.47158437E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05966202E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.54997022E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49176136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.92095969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37084259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67222944E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.23133872E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.90180233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73765689E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.02848600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25986687E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.74287040E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "105": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38980770E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42917273E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83246033E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79660736E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.21725563E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02410234E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31235182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83701838E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65497953E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23131909E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81762169E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79841418E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37129782E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73599825E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43765231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80234159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26368064E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98453108E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42367263E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35183359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18216293E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26689294E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20134888E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54625552E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25128690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73134170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49981840E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47528186E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32977141E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.99648640E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25122614E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.68198699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76864629E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05433868E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25174078E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81499925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.15239545E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82439878E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86634039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.38405940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.83279431E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42157649E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26816737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07937011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94868590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16339869E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81685127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47519910E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10240428E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.52006067E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.47295248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82523166E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12455257E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.99149705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38366061E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19155392E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13198163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.15871218E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64192841E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.40642943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19705777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96202621E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.44952529E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71084979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.64658582E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16487050E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89649759E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63907961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.62191215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.73375839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86568774E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.30608432E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.48750926E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.04739355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.59070815E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00657920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00560300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "106": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35457160E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42038613E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80629769E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78908860E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20276833E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02628125E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31733990E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87641358E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67999728E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24569500E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89639608E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84064438E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39408614E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.86372381E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50703666E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84095366E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.50202800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12018661E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49918732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39704918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44093845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41440849E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27145724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93279077E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40064516E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23186239E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56469499E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.73702922E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42137713E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31583532E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36438412E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.09199260E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92084499E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11234936E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48023335E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90880752E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.55585695E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00627339E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94642941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.76826570E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02641205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51584550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31820471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32330727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07671723E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22495208E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09437648E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53447241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26939117E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68622454E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.85285568E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.94450425E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16956213E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18322372E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47264343E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23527553E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.35641910E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.27647519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70521073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.75096102E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38292571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06578323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.01155450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99021849E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.77565490E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26397633E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.22192761E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77684551E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.27686079E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.07237915E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.04611174E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03043416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.03521945E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33988257E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00838060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.70829815E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20361670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "107": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35507027E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42096203E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81119463E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79281032E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23213634E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04642763E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33004164E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95005647E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72065853E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26736090E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.00960469E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89920235E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42453388E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02677528E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59352881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88793509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.77078898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27077928E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58001806E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44518524E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70497740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56714132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34341918E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32066161E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54841657E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72318509E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64627625E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.03618643E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52304015E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66526409E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48719085E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.53449741E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08438764E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17442208E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72355251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00813869E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.98047401E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19645910E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03619418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01941261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23942117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61849525E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37230328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58445536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21433762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29071547E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.38665291E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60340451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43052815E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85490615E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.23775108E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06498329E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21487971E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37570307E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56174264E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27896664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58024740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39371084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76820146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.09330790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56779144E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16975636E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.58625839E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26583722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08697774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35744006E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.52790127E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90587875E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.88963896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.38843044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21435319E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12322035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.54647777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.61453156E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14948649E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.36150229E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36277810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "108": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33210010E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41526206E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79441748E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78820631E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22672032E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05154593E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33613628E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99445618E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74827170E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28314375E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09598308E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94541486E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44932608E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16455784E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66801926E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92898651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00227500E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41433178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65930879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49266600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.97071717E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72158524E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41716364E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70970687E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69594216E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21167181E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71337198E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.30602203E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61823444E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99987855E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60655850E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96907275E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24613275E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23607445E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96560647E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10687823E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.40159925E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38444101E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12451766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06126490E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44838498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71984570E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42584595E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.84538912E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35280046E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35754972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.67905360E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67224568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57730903E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02425855E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.62336266E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18530793E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25998307E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56666523E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64988073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32208375E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.80055277E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.50876210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82999098E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.42795824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.74849296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27204972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.16088456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.53675418E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19394440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.44773097E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.82252239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.02968175E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.47684794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.69054316E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37503048E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21164248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.03493324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.87795003E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28540448E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.98520298E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54169620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "109": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30946466E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40958618E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77725442E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78319576E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.21848951E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05512018E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34150131E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03571988E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77461638E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29843098E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18052032E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99097572E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47389632E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30184287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74243429E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96994383E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02771070E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55996795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73958264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54087461E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23972718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87921182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49315669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10375819E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84449475E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70330956E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77896114E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.57459048E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71399469E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.33909475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72825992E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.41395171E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41214757E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29942595E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21417831E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20804024E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.83155630E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57554506E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21385916E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10347260E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65850840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82195018E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47977289E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10928205E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49348457E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42576968E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97363744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74151237E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71266594E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19397533E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00089931E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30526243E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30479138E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75576267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73689519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36454366E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.01687889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.62134659E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89041566E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.75385232E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.92434588E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37204884E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.73125526E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80314345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29894519E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53635569E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.11089914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15051418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00493488E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.98446248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53125927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29750686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.51008289E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.13496288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41848229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.59300515E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70384250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "110": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33254315E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41589924E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79984265E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79245430E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26443215E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07977028E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35526095E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11112696E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81515762E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31972344E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29076929E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04764578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50329578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46015677E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82673311E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01574261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05483617E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71388497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82377597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59115206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51524990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04203523E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57169759E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.50574382E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99521117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20328724E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86994832E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.90251766E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82590439E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72660471E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86537548E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.91044553E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59609860E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36919379E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48627065E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31805338E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02959628E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78053027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30900464E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14810012E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87943436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92883374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53597727E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38334820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63980578E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49634610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27534756E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81325893E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84149215E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.36384173E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03941689E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.42470712E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34925607E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.94280714E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82271035E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40631592E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.22912115E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.73143784E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94947650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00710469E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.09530918E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46947963E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02954652E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06534167E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40240866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62439207E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.39654991E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26988553E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06142996E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.27395571E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.68506385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38196370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.97793069E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.38861178E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55019791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.19294980E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86550310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "111": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32129985E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41313127E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79173426E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79031949E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26504373E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08591303E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36137419E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15480604E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84244877E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33542060E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.37700107E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09376409E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52797262E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59735023E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90090348E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05628673E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08046938E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86189612E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90654036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64086385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79291309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20681808E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65252531E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91412153E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14855732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71361327E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94026210E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01874223E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92796108E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.09043009E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99664131E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03922974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77635232E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43800005E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75554568E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42701799E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07554532E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98286614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40259765E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19201098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09665041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03455711E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59167038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65717326E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78661608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56768753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57714537E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88398480E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95912697E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.53434322E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07800186E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54400666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39351868E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.12841443E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90761753E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44754272E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.43800115E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83939580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00734834E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03804576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.26181353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56430406E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08523916E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32348453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50448884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71244896E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.68148977E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38867118E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11758322E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.56118854E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.83760384E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.46567359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.44198729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64072029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.68146897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.79010700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.05238710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "112": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27628405E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40133708E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75183492E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77517500E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20408639E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06113824E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35162724E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11720022E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82791692E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32972816E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35518513E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08595607E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52608657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61051354E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91261106E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06219260E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09447393E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95888420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97041859E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68158795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.06273324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36715451E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73867578E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.34970450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29903056E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22959771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98896980E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04256771E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01899505E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.42691288E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12091660E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08559324E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95177966E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50548547E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.02084729E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53455319E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12087285E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18211737E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49451329E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23518192E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31016949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13913337E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64685833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93074448E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93382507E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63973946E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87916658E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95385072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06608715E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.70596694E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11676755E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66352513E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43772105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.31321294E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99192247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48838236E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64440098E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94573523E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06431961E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06838268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42477673E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65674353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14018455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.57792462E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60543325E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.80084798E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.96677839E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50733614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17361771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.84736975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98953279E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54900287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.90406620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89215028E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81266297E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.38615637E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.24177900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "113": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26564207E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39866817E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74422515E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77365178E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.21158475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07295461E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36171416E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18619002E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87076767E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35459317E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49347521E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16091577E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56640294E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82892664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03205829E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12975482E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13031738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15748622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08168254E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74596207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.40649632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.56996553E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83861196E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93962268E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57722155E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51258475E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22950772E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14195506E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38548142E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07780748E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62617690E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27813994E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70083150E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80335129E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23642488E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04722041E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34609780E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.21238577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97454758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44471995E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.28158737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55970861E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84700824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78221533E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36436593E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80752239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.63569979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23571621E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49490045E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.11290116E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66859908E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39220281E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08768842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.08703746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28499285E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13339353E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10374338E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.81724949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06216577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63711945E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.52644077E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33515906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10433759E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.58005214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.99541705E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49209297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29101515E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.29840881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.79894990E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.33836896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.05824687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.02169215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.96237638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.75970910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.14831388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.42948503E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "114": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25502639E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39595194E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73540204E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77067315E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20542815E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07470753E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36535866E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21737444E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89220455E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36768679E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56867354E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20255515E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58931895E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96091240E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10483800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16908478E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15644477E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.31209060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17161143E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80024256E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73072229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76363329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93814058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.54669754E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86374137E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07521373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28248145E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16539717E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47376142E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11041385E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74684888E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32320817E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87108090E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86846501E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.48927959E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14764942E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38726175E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.38739584E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05193815E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48004065E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45062744E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63892502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88902011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.97228497E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46826548E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85130238E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.85413909E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18861843E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09423019E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46077358E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74711158E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63264536E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17573481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.45254444E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45092382E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21401105E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14479054E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.03368457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17718763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70024067E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87166791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.52530825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.20707128E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01493811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.29553469E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61789962E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35864531E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.51803345E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89101027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.77131238E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.27786264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13716351E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05894354E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.09611076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.32511881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.31317463E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "115": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27716144E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40183307E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75524325E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77809769E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23967370E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09280864E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37600124E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28046699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92903043E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38838077E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68134579E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26243412E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62105900E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13470672E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.19940640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22127358E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18708746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.48872165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27179656E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85990233E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.06637472E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96566370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04003435E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01772027E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16405429E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20026752E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34918164E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19496194E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58591482E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15223503E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90329429E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38232687E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09730225E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95623370E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.83558761E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28762007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44574490E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64103144E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16618543E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53305357E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.70867381E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76643092E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95553550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.30698171E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65188068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93992868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36628356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41153965E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02069403E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.89160022E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84439609E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.93073054E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28492725E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.90628169E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.65712715E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31443508E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19601763E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.30468393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32158051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.77974545E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.31155755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.76967207E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34357067E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08804086E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66643181E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76404306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42553854E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.73475164E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98163904E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.19700000E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.49363423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25058281E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12049794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.42672660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49940949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01858987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "116": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23395635E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39042308E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71663685E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76377617E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18589017E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07335338E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36970937E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26396175E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92750025E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39042228E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70288368E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27766374E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63087763E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20370801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24028714E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24257275E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20648388E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.61447606E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35432929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91090728E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.37631555E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15488955E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14108026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08035187E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47368104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32716064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.41478101E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22444768E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69876288E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19459836E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06258118E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44274530E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32907112E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04626398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19071685E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43086834E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50538611E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89856467E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28166812E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58651064E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.96804421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89427462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02214028E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.64080707E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.83575422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02868007E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89231478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66801723E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.97707589E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.35091124E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94803968E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.24777184E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40079648E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03866895E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.87503404E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42041207E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24999999E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58998208E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.47378902E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86358336E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.77729485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.02893584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.48933959E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16591219E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.05800523E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91490581E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49214833E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.95004732E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07147264E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.61846084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.70708711E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.36274420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18132991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.75382195E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67230702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10531308E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "117": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25589660E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39622807E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73580777E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77055155E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.21438834E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08728868E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37769819E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.31102557E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95481902E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40571584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.78665037E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32284017E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65532803E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.34251093E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.31714084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28450220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23329160E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77383376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44769397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96687234E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.71913239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35865868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24658072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14580781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79419796E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45755955E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.50079474E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25887001E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82527515E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24107592E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23497767E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50750108E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.57553472E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14132811E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.56301977E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57984955E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56686094E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16151398E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39848795E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64014961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22626489E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02034342E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08756913E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96460376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01432190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11448402E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.40561230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93186959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92968449E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83574648E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05729720E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58130697E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52237884E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08894908E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.10258847E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53088086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30617020E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88645118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63215132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95080977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02633964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.29989718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64229268E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24755275E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46674430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07169726E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55874574E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.16482517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16090441E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00375884E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.91918626E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47415547E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24172009E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.07887380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84454763E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19184727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "118": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24543434E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39342753E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72586931E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76655977E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20004310E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08342403E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37804335E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32550050E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96875536E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41569741E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84986815E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36021593E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67684236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47152669E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39087321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32521218E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25971789E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.93405284E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54206791E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02418111E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00527536E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56202638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35158724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21100065E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12227893E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59031719E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56226785E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28729373E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93590515E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28310998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39439154E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56830707E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.80943914E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23217925E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92013696E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72283531E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62573603E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.41242740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50951511E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69104303E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47054959E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13905180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14933937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02679675E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18229819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19602479E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89384744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19468837E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.86706817E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34050542E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17092956E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.92742965E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64817876E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14081718E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.33672197E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64430103E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36373690E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.18993191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.79447993E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04023819E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07633686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.57883329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.80009817E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33179571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.88745938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23304938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62557486E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.37987566E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25026762E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04559255E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.13069042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58520536E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30188065E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.40298978E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.01668444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27846072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-v3z.1.element.json b/basis_set_exchange/data/dyall/dyall-v3z.1.element.json new file mode 100644 index 00000000..7496ade2 --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-v3z.1.element.json @@ -0,0 +1,600 @@ +{ + "molssi_bse_schema": { + "schema_type": "element", + "schema_version": "0.1" + }, + "name": "dyall-v3z", + "description": "Dyall's valence 3-zeta primitive basis set", + "elements": { + "1": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "2": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "3": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "4": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "5": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "6": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "7": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "8": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "9": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "10": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "11": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "12": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "13": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "14": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "15": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "16": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "17": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "18": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "19": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "20": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "21": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "22": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "23": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "24": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "25": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "26": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "27": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "28": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "29": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "30": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "31": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "32": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "33": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "34": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "35": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "36": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "37": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "38": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "39": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "40": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "41": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "42": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "43": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "44": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "45": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "46": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "47": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "48": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "49": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "50": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "51": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "52": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "53": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "54": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "55": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "56": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "57": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "58": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "59": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "60": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "61": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "62": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "63": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "64": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "65": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "66": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "67": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "68": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "69": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "70": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "71": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "72": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "73": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "74": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "75": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "76": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "77": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "78": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "79": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "80": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "81": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "82": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "83": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "84": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "85": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "86": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "87": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "88": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "89": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "90": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "91": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "92": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "93": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "94": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "95": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "96": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "97": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "98": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "99": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "100": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "101": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "102": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "103": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "104": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "105": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "106": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "107": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "108": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "109": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "110": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "111": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "112": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "113": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "114": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "115": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "116": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "117": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + }, + "118": { + "components": [ + "dyall/dyall-v3z.1.json" + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-v3z.1.json b/basis_set_exchange/data/dyall/dyall-v3z.1.json new file mode 100644 index 00000000..15d9da4e --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-v3z.1.json @@ -0,0 +1,126802 @@ +{ + "molssi_bse_schema": { + "schema_type": "component", + "schema_version": "0.1" + }, + "description": "Dyall's valence 3-zeta primitive basis set", + "data_source": "Data from https://zenodo.org/records/7574629", + "elements": { + "1": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.01657212E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34649031E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05473364E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62453493E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80494579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00896460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91394822E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60426029E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71243724E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23551545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93467565E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.72511884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "2": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40072588E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59090341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.16292739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30932047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51215959E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67601960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00126018E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84736372E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49139365E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12853138E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43108867E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95612906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "3": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06973312E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54595264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02740411E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89586956E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41196495E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38684376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31505511E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39211605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29034885E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.97331831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.34381553E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55490423E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46707438E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06434589E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99431320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67746425E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42782545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77535311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77240546E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.30116131E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22478016E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45878375E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.87090703E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04231736E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "4": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83205813E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.57491851E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93049738E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42828734E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76151050E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.33348080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46053217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01303767E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35324355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93804832E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71465714E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47833689E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01026182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13322544E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09713585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.64448228E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99814660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04950925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04947150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65880377E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96137454E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92979655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04771923E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.71919015E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94872657E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.66942695E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "5": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93788253E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30256081E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91729099E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.17438240E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64585452E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49405228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68250561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51497839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52312620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92666937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34129377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40073325E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76036838E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03056262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97655497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64212537E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13895437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82762281E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15187932E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92743428E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21335758E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96664366E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.35833271E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92979801E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.29163721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "6": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25637995E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81272742E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03580313E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12628251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63455675E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30098662E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03486990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06663353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.87806696E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96889579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81289482E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57728142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62134214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03834234E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04771299E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46395646E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.74747276E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78836296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09850897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.47609037E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82091560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22603733E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03556881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05919990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.21638135E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "7": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71695092E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44953145E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41696657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50480183E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83958367E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72764044E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67046428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73213278E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17083422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.20267195E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33614567E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02717148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60512780E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42291190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46219090E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43328856E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08245932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92374865E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55057907E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29000400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52351112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78127520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56793871E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56143189E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02136377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "8": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31109552E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25648035E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.14764591E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97541170E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32914299E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25272175E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67708707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54739807E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51764440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71690551E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97334060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18562343E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74294339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86470896E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94301648E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55312788E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43777974E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23568979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07194422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37152324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32239815E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26399016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23798726E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.43284985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40715844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "9": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05576627E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24923032E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25137786E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54260776E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11301689E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87846079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10594336E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51297401E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92801206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51146147E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73474292E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51152861E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04849945E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36723371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49295846E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82791101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84180600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.72731462E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66363529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07244326E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21897646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58072874E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04464288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.66404926E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88500537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "10": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96947614E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44443048E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17525108E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21089589E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02006148E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60686567E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38211221E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.62889087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40137989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05814807E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61947110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88234675E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52704176E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93186695E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11489673E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26198672E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29555900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.40148544E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32657461E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33518856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21429760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92869104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98165568E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12359377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47554062E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "11": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12411711E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48138260E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11575176E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35793261E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61959305E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16853842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48747556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41535588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04056479E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68077529E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22022418E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.45495305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37672722E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01638181E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.31653097E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69635066E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66647730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10197855E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55060604E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22534651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20882492E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83480956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41479852E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.70193619E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37169137E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.79354668E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91848733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92778800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.48418680E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61912121E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46652179E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.38236614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54959574E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34901424E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.23794995E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.33464785E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.20690104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "12": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86922638E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40747551E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98080562E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32013324E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10055031E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42520656E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39199655E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18035656E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29536723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13567324E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90560039E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91564247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59243635E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55413972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67539997E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09706204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43688667E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65510457E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97564382E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55223446E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73140712E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48700666E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03026007E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.24047312E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48271870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47685148E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13314800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16669594E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83267162E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93974241E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66112074E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.14977385E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10791979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.03864334E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06557142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28034492E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.32965821E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02328368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.41845761E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "13": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61331085E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31186418E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.76439892E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77512990E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47170610E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89046782E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.11885559E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86814317E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21953792E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41539831E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49055108E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16165181E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.67403256E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07092561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.11699442E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42262347E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12347602E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81455638E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03998302E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35924557E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45497969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76112956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12518394E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.80517072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07472125E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.86303251E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01277072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11022663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01002471E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25083805E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08309330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.77036599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "14": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41530473E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27842169E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.65273727E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25314457E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90330646E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37345620E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90109368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57379246E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51523760E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71186777E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07892478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43205781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80409952E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61953632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17570346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52952454E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61561381E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79314281E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30727960E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93795668E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.25086611E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42442725E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39753549E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99735430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61737833E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13832598E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99407219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50758517E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51126608E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61743175E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53325537E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.21961182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "15": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30723404E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34914798E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07248938E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77250805E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.44519213E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88995955E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07964097E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32091047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82719576E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07580104E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69682616E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71640797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01102009E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20986282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46219083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74738515E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14751786E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94037694E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59142117E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54310170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11130593E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10893367E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67788335E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22366817E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17958502E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40517960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15448646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96730743E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.20155791E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22607394E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07120534E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.24814897E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "16": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31068821E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.54988506E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30311985E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34595703E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01354908E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45272873E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28508432E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12718005E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16258439E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53769447E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35767940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02044442E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30841798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84720189E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77267984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07267230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72231955E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12672292E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87471736E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13696340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29246766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77090540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94765599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.39618076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71664457E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66216311E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.36076883E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45183674E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99840640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.03950405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67732297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.54654445E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "17": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40636873E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.87149930E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55657222E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97349378E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19769041E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06326246E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50714473E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99586549E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52292903E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11047251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06486231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34566619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70034857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53336757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10778651E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.50704231E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34305711E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37854423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15713735E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72030818E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46893921E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41173139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20711766E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.51214405E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22202630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89907772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55970929E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94516913E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08634057E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00411042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34213688E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.10734313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "18": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56667124E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29804024E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83141376E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65367591E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39689020E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72221320E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74628020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.92940001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90944261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27828896E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82130329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69343388E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11938854E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27141112E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46860868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.05354406E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01192116E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65005734E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45656966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.33026274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65209498E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07339194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47361689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06493613E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72977240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12561764E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.74705661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44540373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27909136E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22407920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06250457E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.99485367E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "19": { + "references": [ + "dyall2009a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70979584E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59285638E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22263806E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83397593E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46481197E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83091338E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71250139E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64371933E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10383490E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83677665E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20624552E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04111682E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05274919E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48524676E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12810253E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51016642E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70553708E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12056868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.21390260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33810977E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20407410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08176995E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02297136E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12857354E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53330901E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85208145E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46425069E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96694702E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.96411185E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48832432E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60447892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.57563158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63397107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70328640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.09872309E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82073162E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77422040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.13683690E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18690952E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25843551E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02275849E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56924634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.41992101E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83454480E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.72026651E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13400174E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.83838990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "20": { + "references": [ + "dyall2009a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24633537E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42837862E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.00751943E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29634536E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84747793E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29259803E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39456034E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30105314E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37605488E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02118720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74354211E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29314154E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26431785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07018767E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39562991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88127796E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40174368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50403325E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26763672E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36765143E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68945740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33226125E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20740520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01269248E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18730238E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25751342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58388428E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35412235E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.49455244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14963927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90867082E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02909007E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34940922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06108027E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.98365115E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.88868809E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39840754E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20321460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27043196E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00808590E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73705919E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97367339E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.97722478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16309249E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25122551E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38907420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.95815720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.48691880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "21": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45447409E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82136942E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91303344E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53975100E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59098442E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54409491E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31956547E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66621673E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52917975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69607626E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05317969E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44000837E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98040060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42478708E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56321259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74415691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84447242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71293970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.26954122E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80469628E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65621219E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83345359E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24910074E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41050190E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63613429E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.61329362E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70627419E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08756329E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74280229E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17982037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03193984E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97968369E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36835634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14814186E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61293764E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73740335E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04592373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44015183E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89251896E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.15663262E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.70653467E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.99202020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.05339500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74691673E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.53699933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16875746E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27887870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.83821951E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78537449E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.45197328E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73647022E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.56760335E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.84207993E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.83909460E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "22": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72762353E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32300748E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10634454E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84791572E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.52846549E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85996046E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04761523E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11910047E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71644571E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.50666879E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41824047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61019183E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79716207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82332700E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74866163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69401662E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32841888E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94244223E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36871023E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.29893642E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08977354E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32478677E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43587229E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67794424E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08215829E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81010886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11221712E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24587220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42005706E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48878879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17878346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69661782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71663309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31760469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41979719E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10760198E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16284658E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.85072666E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03416009E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15545281E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41889182E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27448013E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.22392958E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27924283E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.99812579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.27648098E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74912833E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63265865E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63941223E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.01613785E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.83850370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.25222317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.02158221E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "23": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95584820E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76905464E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21166351E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13532190E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41379976E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16079568E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15830978E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.55412899E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89713594E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29339259E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77501696E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77772871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.60695704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22138282E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93465769E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.64862019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81647846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17422583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04694822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79289448E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20590184E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77555229E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60722434E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97917644E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57648787E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01184487E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55190281E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41625098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.14558781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81869200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33522967E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.45871962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08572256E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49640435E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26506454E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49137031E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27833592E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24496899E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16608224E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37270489E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06303942E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52221188E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.28078566E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75849341E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21954483E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.25350849E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15843824E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.16813754E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21852717E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.63713985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43236226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.19043852E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.02483041E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "24": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23722214E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30322385E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33715295E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47578027E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04552789E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51159501E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28638411E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05433598E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10386443E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.18979484E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17991468E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96701639E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51682025E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66534901E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14102942E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07019215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34888299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42049718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16329541E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30805738E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31924422E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21860481E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77480355E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31772578E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12398785E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15479981E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02788701E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59951488E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92236071E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17071694E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50178036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26823058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47657993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68494920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.15083842E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89008038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39407960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63084528E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29182057E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58607501E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.69480172E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76449487E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.31584809E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22721194E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43324988E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.19533238E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54849078E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.61006770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72712177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.03969696E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81720280E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.49342542E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.85507624E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "25": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40822628E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68665059E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43317123E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74463790E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12935387E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79835589E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39243458E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47276433E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27830227E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.95219252E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52696670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13074973E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03141556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06228110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32952349E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16756228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85133651E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65918944E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27593658E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81427725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43108302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.63451933E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93067637E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69702271E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72928121E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31074421E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54230499E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79629268E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.75246441E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54563063E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67874362E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.12651139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88985546E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88362446E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07953117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30504984E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51065134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01100222E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41277178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80163196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.33217964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00846081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.35884857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69908810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64752820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.13343983E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93334661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10151349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.24318783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.45251458E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20292522E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.81531812E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.73114838E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "26": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65104363E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18786587E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55591169E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08643739E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23579719E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16116009E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52585746E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99617655E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49524251E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08947152E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95334305E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33040295E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12758740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53304615E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54859654E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27948333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41766282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92075903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39866101E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35533250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54381067E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.06043670E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08896826E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12118421E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.39799601E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48076924E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09794220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00744729E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63895351E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94461240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86659529E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.03556039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32649576E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09293167E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00538481E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73757219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62856134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.38760048E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52994557E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02219425E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.98343248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25736942E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.42338924E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.18032277E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86534411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.08187360E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.31931010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24089509E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77682937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.91200390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.60133069E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.15294608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.65024467E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "27": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82208420E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.60689663E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66556157E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40045266E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33492420E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50240882E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65252510E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49736454E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70447802E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18087479E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36842904E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52536934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22187448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99779196E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76719203E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39162442E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98935242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18724669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52371795E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90892247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65899197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48969406E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24642912E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59453363E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13605026E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66600602E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69761164E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23382073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.58468781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36872923E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06576162E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99719354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78728981E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31316779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10744066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18748049E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74786653E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.76104080E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64373645E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24929513E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.65297567E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51294715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05166101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67412190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08822889E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04794544E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.70969286E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38050186E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.33463515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14352792E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.01676166E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.51620257E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.63803944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "28": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09417454E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.15423112E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79983714E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77470371E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45128984E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89825079E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79771162E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.06473127E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93857560E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28212016E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82455518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73820181E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32415198E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49845610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00096535E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51095766E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59353474E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46552824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65392148E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48253345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77577209E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91899313E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40256008E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12190993E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94990484E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86766622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34433298E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47633882E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05929234E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81923359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27674802E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10135094E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27315103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54478781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21436253E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65600768E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86895927E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.13293631E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75481037E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.48391727E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.34357337E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77626216E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16429265E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18245777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31711702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00360891E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10650744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52114902E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.92057615E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30336632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.45236760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.92463832E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.74680642E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "29": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17836883E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47963329E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89703427E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07242257E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54918932E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24357127E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92770015E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.58342379E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15656545E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37795134E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26241548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94505481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42469346E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99623580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23612341E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63159981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20815728E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75100972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78750651E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07220205E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89582353E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35577026E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55957396E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70798341E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.84614925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08701673E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04103966E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73578742E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16660415E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29694339E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49988133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20860387E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78498450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78821543E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32629877E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.14347547E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99182991E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50327929E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86331229E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72681961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.05733091E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04811922E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28056495E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.70680231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55270735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10495806E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51119083E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66339036E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.50612052E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45696848E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.85526824E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.42224313E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.05555984E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "30": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39435425E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99808344E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03487339E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47424182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67782093E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69008377E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09406092E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.24208227E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43119918E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49765056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80432517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19847238E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54645939E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59114037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51719909E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77583427E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94120643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10274932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95823890E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.88071260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05027372E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96124991E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81012871E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44385455E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96245884E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35714451E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89174535E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05078035E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29636716E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87347840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76896978E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33827563E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.40959874E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08816213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46400045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.73631515E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12917749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.90937835E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97825650E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17340924E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.36732102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.55293077E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49917368E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.72204198E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03683220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33336105E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.55414758E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09361233E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.36242615E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71948900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.64703612E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.03365893E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.09012380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "31": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55445959E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53805914E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19617901E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97356169E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84366401E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28039247E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31796696E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14019784E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80916474E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66331442E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.55624758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55009317E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71490540E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.40892083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91430040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98206909E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.99972969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64904841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24139583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03349674E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70644104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22830759E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23471170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.08808822E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44309931E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65650470E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19291003E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53605376E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90707869E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.60219479E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06184271E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98041541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.77666289E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66475578E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16284487E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62156734E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06986778E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11755278E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99871898E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92523211E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15654755E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.40247675E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87021090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.47094152E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.89826857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76032088E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.66908542E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14030786E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08908959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.17685060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "32": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75343445E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02023082E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39819004E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.61845733E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06356833E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.07305542E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61881785E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03382598E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30984371E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88246484E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.55288416E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01557329E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93598891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46758326E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43298975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24480986E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13104017E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30652312E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57590746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20096394E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44413215E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59544469E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79702298E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07773854E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69205977E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22981657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36598719E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15827086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15833398E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.70507356E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57599349E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23033382E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10288618E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27537145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46478757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11484652E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75937004E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42823716E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23725801E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45122340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30971213E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.98968707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.12546986E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.66244163E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47315611E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03779022E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.94903250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90445404E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38367632E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.15897290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "33": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84037754E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04741635E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48021737E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.86570276E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14335233E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35442200E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72727398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07892387E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50695885E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97163634E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.97096621E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22025658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04068671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00200794E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72249319E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40440526E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21993854E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81855903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85054141E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35308984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22412844E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95986625E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35217158E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25921678E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95770521E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.83336399E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54573419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.79762466E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41444066E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08218676E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09372511E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48073813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22761324E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88544562E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76954531E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27234366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53033238E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76018660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52968218E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.24946231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54139147E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.87896006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51450329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14965785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37984525E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49289704E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12673049E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78844260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73973970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.79380230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "34": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91257405E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08552012E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61077716E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30096950E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29512815E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91241162E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94328145E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16654357E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87830978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13558305E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.72184945E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.57532086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21313616E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08741085E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15373572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62925493E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33734473E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44316383E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17617127E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52559166E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06373017E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35390677E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00275324E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44232694E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22428505E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43169807E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72167334E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41701325E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66053736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18875922E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58471891E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71705069E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34466258E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.45923055E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05885736E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42500468E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32247165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10016659E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.85965836E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.99466247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75672026E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.70179219E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87377103E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31862905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.21101127E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90745782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33269967E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74576990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.12553180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.62749660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "35": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15532200E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14812366E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79022382E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.85300079E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47851458E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.56472677E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19006342E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26519798E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29302905E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31783155E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05532345E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96619290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40148562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17991277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61745704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86921977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46201787E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10371231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51941039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70755420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95273831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76751762E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17878343E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62032129E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48207234E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00386082E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88786464E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.99612387E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88874390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28688356E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.03364193E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93184357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45023649E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97509644E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32036019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56522324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10870265E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44061786E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.20998554E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.78600736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98442380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56941673E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25242088E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49677211E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.08866174E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34689761E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55224006E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.77301296E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53829111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.61019350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "36": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17991323E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17633306E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89878976E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.23363353E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61516067E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.07657147E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39150797E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34834584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65094954E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47770238E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12920507E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31866563E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57438888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26649609E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05799044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09998310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58358314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75114559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86196588E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89263435E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88241566E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19462923E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36130944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79252643E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73044757E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.54946010E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04447512E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53632486E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09979671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37692414E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44218662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12578540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54446498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43056540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55041350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68783305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86733279E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77532298E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05671028E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.61271060E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22127617E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.46930426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64474259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68131637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.99833116E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80352489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78113476E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.84543548E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96354748E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.74331150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "37": { + "references": [ + "dyall2009a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08767232E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83371171E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18347777E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62874001E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58642951E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05499075E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03135053E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30729427E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42545267E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.39369988E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97082409E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42407022E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01511850E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54004530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82344036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.52282397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87014426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58793768E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37806594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99803200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67443344E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91288086E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29378663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03569873E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88410026E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70047420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76439080E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89943874E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01896362E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81779748E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66060143E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29430683E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85631990E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37338110E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51645406E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41072625E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11946882E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41413833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69585869E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35485131E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.83574530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45397456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73752459E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.17333391E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72813018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65446097E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.51815390E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36553789E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93866375E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.98776019E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45065186E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17222527E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58380415E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.89820275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23604465E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59392728E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.00075065E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.01623134E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99203874E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.40111233E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.76509439E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36639330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.43202372E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.13612248E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.95268640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "38": { + "references": [ + "dyall2009a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.26818774E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93389725E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61837344E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80350379E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29267831E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34628991E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26830327E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84858404E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66995286E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53303961E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51698704E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69279425E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.37083181E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23994238E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19183724E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14698926E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83858288E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11458074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66434325E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61012132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51896303E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35365202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08128826E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49446470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64687364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30234500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23524259E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68625194E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78092267E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.61401273E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.80589089E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53828331E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.52410055E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59439007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35525531E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76177253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27773118E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16757439E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07052085E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54469033E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.90871380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06644462E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09840565E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02995272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94556182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33586520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28758348E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69974893E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60536749E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64614044E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.71488437E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78633889E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.77953698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.65413423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80392165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.09551307E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59619753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30127783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10308753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59122541E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75087430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.68010638E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.56145306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64628200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22699972E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "39": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43512088E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01722594E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99876484E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96410954E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95741170E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62176475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04393466E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36307122E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90358422E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62642841E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04320047E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95201691E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.66807895E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89617820E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52648315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31716661E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69113704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56930851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90767701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.97363639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18773089E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70078664E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25681387E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46061267E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11633975E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.07281519E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50106792E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10399420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40608328E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.94368033E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77875807E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17377730E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80655136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15150456E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09206909E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42549780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86648635E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41538248E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72092932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81245276E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53338641E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34584416E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15966851E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61795988E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66255173E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53703844E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14874117E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77366098E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52810453E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38369680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66181548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.22286587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38199457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66119505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.29183202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.14141669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02271969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.06638979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81152694E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52033281E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.61996761E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11534430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98128970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.34356880E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.11452300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.98465900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.61553000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "40": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41913036E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01961442E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01923777E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97382525E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.00801456E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64868269E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05785673E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43304941E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93797505E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79467206E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12673613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99497598E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.90117836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02877801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60405961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36370107E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.97803346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74041157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01030682E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05880331E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55744188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92544032E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39549746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18479454E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48296652E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04756548E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05773642E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32140536E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27496342E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.19159130E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04110973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87561805E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03330436E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99478042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43932198E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57989471E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.59322894E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77228871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90219280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.75195592E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02487300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60993012E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30273782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34720069E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00632478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07105157E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56921369E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91991897E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64333519E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.70169718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78002413E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.73282584E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.62162010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78020947E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.90076960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46389304E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19642932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.96447971E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31951484E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78369564E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.79901154E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25470950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.73951700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73882860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.79609530E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.12817430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.04272500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "41": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30767525E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00104183E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98814705E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96971653E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.00780182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65151028E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05936238E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43771861E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93872529E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79256882E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12370810E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99321611E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89750313E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03361828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61232463E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37268878E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.04786621E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78372507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03604260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06855208E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69265584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02816657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45575066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41153959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54293603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.81041128E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79281562E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21201747E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09001198E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03607226E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28531763E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52149984E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23921398E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.75121154E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74751737E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71557231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22567032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07975585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05605013E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05399819E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44003972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83566379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42558496E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97381825E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30336506E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16647495E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90147042E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03587350E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57687774E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51473934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70954700E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.41335166E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.46446207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69558350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.42052768E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19974229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05263858E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.33490109E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02048782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63342997E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.12639417E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01820860E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.91833210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.72777400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.33556320E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.77852100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "42": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.18593067E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99699637E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05526774E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01462746E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23841742E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76063138E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10994167E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.67302668E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05007645E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.33124218E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39001238E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12706196E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05780714E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38299679E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79325745E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46674080E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52482955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04021302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17464560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14337867E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11645850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27041272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59303796E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.09571039E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86493465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06707947E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10470125E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32696610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13851361E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18709071E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60089746E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.35231022E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50218302E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.71143141E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13732017E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88698607E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02591794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46977280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25238609E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15277331E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.94498091E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09951147E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56553846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66467667E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62105632E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26317930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23241359E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14744982E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70566193E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.86935649E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84119157E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.98119496E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.73102973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82769311E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.09288136E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54976916E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23439895E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03519349E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54213168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87647397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12932516E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22376520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.58162020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19387330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.90566690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.30188900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "43": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33028930E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06262239E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35714186E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14608662E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80962351E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01006658E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22079543E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17605640E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28373479E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04399326E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92577508E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39037067E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18929570E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04883678E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13404169E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64167382E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43183703E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52926728E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44103200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29549498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89111323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69119618E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82681782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36864259E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53996401E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37415440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32676785E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81322390E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.42548166E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37256242E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98728678E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36543338E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82196481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08769718E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60966449E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09426687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99226419E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94031666E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48959911E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27038246E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53816241E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40762880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72076108E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.40856730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95430692E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36016700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.55583764E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25219701E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03741054E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77957239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17864368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.44732572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.42563878E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17887084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09360564E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.53665838E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77280582E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31884351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.99181372E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58207470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01956168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45234530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.43195220E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47731730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.58696320E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.86232110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "44": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.17858316E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03366447E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29674310E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13441297E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79886144E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01443954E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22416412E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19751238E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29776946E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05222850E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96862058E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41133341E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20003645E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11144722E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17398756E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66766932E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58485227E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61520538E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48671659E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31277302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.06188622E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80066287E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87889104E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51526064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52319203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22319135E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.66997501E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53337817E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04758390E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52407113E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30134723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.17927213E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07469640E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17833842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97182981E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25119516E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07147064E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28772055E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66155173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35712811E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.99187749E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64999923E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85124813E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.05363718E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25210332E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44336257E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82788313E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34125463E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98609744E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63586077E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.12459562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.20082450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30306295E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11135636E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05397318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.30540561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62484758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24458045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.59221072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36138481E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.12490555E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64059730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.94623200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64874400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.00670730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.35569110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "45": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.21003901E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05962006E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44610005E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20547899E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11533474E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15382542E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28692816E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.48079939E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42641166E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11250488E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26538253E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56423476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28081802E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53997949E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39988830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78515822E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16359229E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92166951E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64840342E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39721850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52756116E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06122152E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02608623E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02366296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86011047E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29673881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93318562E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62896757E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18290311E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71954400E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70655659E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02266956E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39856123E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29403366E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43283222E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45064056E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16331210E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72983091E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88144099E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46612950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.54937684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94260773E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00254525E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78321661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58030420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53197599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.11357424E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43126879E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13858801E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.04979049E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27696915E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.85486218E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.60954511E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26341294E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13170176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71305720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.83610097E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35475842E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13480226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60946883E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01406408E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86028500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.66866020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88955400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17513210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.91710720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "46": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11571378E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04156824E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40980911E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19982441E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11550176E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16023497E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29167561E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50874547E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44161884E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12038431E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30442147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58254112E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28892265E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57572815E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41803663E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79751444E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25139679E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.97949543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68662653E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41643975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.72834288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20396541E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12647100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07338486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.11162053E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36130435E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13211689E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70269194E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28847344E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87212859E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02103887E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10306125E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64355987E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38026853E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.77175033E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59536869E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22902680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04189480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03358317E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54334659E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.96096618E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16389070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12494390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03962413E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86749908E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60876306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35760958E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50853813E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08586264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.90268263E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22161766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.60245280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.48502139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19514292E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09314442E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.49253600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.68664583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26393957E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.60097245E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30332690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.60887284E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97981370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.85290660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95096900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.33002570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.43341940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "47": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13686102E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06092636E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52580240E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25845582E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39904851E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29353792E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35413925E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80450716E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58420713E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19034262E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65258027E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75748414E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37754396E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02947689E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.65338908E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92070834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.90113422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33067749E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87668282E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52068008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30198766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52029976E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28580744E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15233290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47118690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43343513E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38640955E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79165402E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49071527E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16591750E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63029191E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25969588E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12303826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54981797E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44190760E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88359970E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36135235E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.67769267E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35045670E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69714178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72926322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56005706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31876443E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12947874E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25472128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70689381E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66435941E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60013998E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46826769E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.93808672E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60261025E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12488450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.26169761E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58675689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29711217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58318425E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.28888782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58762927E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.26906522E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12428867E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22366870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37680450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.58521000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.52840340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.62875810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.42919330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "48": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.89071917E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00899377E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40330953E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23026019E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.34248649E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28767707E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35760229E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83941241E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60632150E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20271592E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72012830E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79541933E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39977454E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16361970E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73557333E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97172651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02175520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52086545E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99117193E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58782437E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.75154371E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80825980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49714461E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27246742E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18835547E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82516466E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99072098E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43895456E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69140839E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45979997E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24037706E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41589189E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59727855E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71601136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09360664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16194338E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48832589E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.28426575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65089870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84343579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.46581972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94042835E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50552204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21631949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63120729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80059568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.95515015E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68575922E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84652381E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.95224686E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97358227E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28441382E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01300907E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96467964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49449578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64081796E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.87222530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90266310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.91299749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94585758E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59146030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.62069000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.39673500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79891200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.78753410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.95844700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "49": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.88285108E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01322180E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44319731E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25305646E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45791027E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34289156E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38370938E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96330036E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66599861E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23197689E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86611244E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86966766E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43848567E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37122965E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85011377E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03678183E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05919921E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73915158E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11997725E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66317520E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24803137E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12394788E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71488961E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39886979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95707144E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27003236E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03070733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47969655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01267710E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.52883982E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60155878E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20058700E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29911106E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.61064689E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82802263E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89139916E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63625555E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75951911E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82062597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53208370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33618738E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20350914E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27461084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12494860E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52201368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.03356107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45233343E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.37972784E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48547075E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.53599087E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49981056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.51929048E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37010093E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11525514E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.55864522E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87852136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51563641E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.08391902E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28620339E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21331674E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10382616E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.30206236E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39763470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.86616184E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.66497420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "50": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74534403E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99067942E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.42651511E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26767650E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58724261E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41934390E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42421167E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.16871088E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76879156E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28355618E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12815896E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00493669E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50942383E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74886852E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05407833E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14824953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12075676E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08743786E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31890244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77951378E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.93225188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53108388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96897898E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54241230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80222349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74016006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26412099E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53500260E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61980376E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.50526578E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81275782E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74666186E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46099329E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15260775E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03062504E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72200721E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00272550E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93106728E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.65908914E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95791320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55941371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31828770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88259247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44761101E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69239648E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93855133E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85023748E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13935931E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36767301E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25274119E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68298402E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.17043940E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64357763E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24314710E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.19714288E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.21431431E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69744422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.09025481E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.85305289E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53095738E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27898151E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25394670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88425001E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09938726E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.48626760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "51": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75339381E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00285955E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.51340658E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31641818E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83930931E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54360602E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48496438E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46579639E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91512222E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35642277E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49617816E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19380445E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60799487E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.27184660E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33547136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30085051E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20490009E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.55880977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58553371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93639956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08012259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03108721E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25514803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70084983E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.70895719E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23290363E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50488113E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.61020954E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26309595E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.54604330E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03869693E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.33132624E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63403286E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72969244E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24533694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.59834078E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38783846E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11074464E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05356011E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40269005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79252628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43818063E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.52036006E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78988192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87515067E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92972699E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34499004E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36544503E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30225540E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.05315649E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88616736E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88872161E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.94388368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38310455E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.89443168E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.58037631E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89580022E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01889566E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.47370762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88147982E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47385029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.31984484E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43297470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34929640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.89884920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "52": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.47672242E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94066595E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35544412E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27817855E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76531836E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54056208E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49337516E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53773421E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96154542E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38385471E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65224478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28106906E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65649405E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.54164467E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48638503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38595708E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25284678E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.83304446E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74325905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02660117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13678715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.37321695E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46361798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82700904E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49667574E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73421082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74432211E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.69852295E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.85083154E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05425035E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25968945E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.91042343E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80644604E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.30505497E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45894053E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04675826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76888349E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28817507E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13999369E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.84042140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02114726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55580857E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.14782844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12736661E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05614029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.92575451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86304109E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59850872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26035604E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.72841693E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05595772E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.48464255E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.19176371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49807061E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46548988E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.87895755E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05693190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10790207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.97227758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16027853E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62949691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.17853066E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.88493090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58544670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.43785420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "53": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61756518E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98499834E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53957214E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35962458E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.13522194E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70734024E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56935233E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89053926E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12885404E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46488985E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05395149E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48460929E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76151822E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09201527E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77869334E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54278618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33857601E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31570569E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01877937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18928389E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22824521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90064889E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76855245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99745852E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04772815E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26461992E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00283038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89786351E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53102094E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16626810E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50450395E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.54458986E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99322399E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92087351E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68460786E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13747028E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.16210199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46939828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22749162E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27994973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24873708E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67236049E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.76792968E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45890514E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23380612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09114802E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39293154E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83607745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.24033576E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.62797082E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28130470E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.27325330E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.51901205E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64968565E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21833666E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.27290877E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27033664E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22606013E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.64007859E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.53920694E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84184721E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34887528E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.49337100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86444650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.05977000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "54": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48423264E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95885756E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.50058918E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36607377E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24863019E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78820775E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61704848E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.15003854E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26552168E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53569844E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41759707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67129605E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85801382E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.59489204E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04269972E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68199832E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41151661E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70954371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23373885E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30914483E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29810095E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.32385894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03606176E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15735140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14324160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84124790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27819260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01342458E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.10131557E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26524380E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72618852E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12720009E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16623676E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.49333216E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89448485E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22174491E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52689742E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63727568E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30846524E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.68611444E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45840034E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78019021E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.34468903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76710191E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40022684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18493691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.92315492E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07474884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.23332857E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.56806256E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51543754E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.08866259E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85620914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80551164E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.99140065E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67714973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.48946885E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34747076E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.32692316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92993904E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06167169E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05656103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12785410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15222000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.76723630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "55": { + "references": [ + "dyall2009a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46013948E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95239765E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47858799E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35926991E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23772617E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79241253E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62263856E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18883181E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28814095E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54847766E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49162288E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71451522E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88270827E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.73175836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.11681588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72262572E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43399077E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83643947E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30251793E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33386940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32602505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51049587E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18003562E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28157856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23685235E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91374788E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98268826E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44830456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.43981270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27743147E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87929476E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06102307E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10396530E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43948696E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11897001E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16628433E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47606100E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.52122855E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27232141E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37396752E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.18824831E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94301580E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45673921E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43534104E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85708541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00630763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06932858E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.62603379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89349722E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46565095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60214345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05354627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35767010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97423139E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54583510E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60300028E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.58971303E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.76506422E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80894082E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.60020316E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81731735E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31874292E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.55132951E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37809717E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.77679042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.47615462E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00701034E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57833310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30242508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.29345754E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79382752E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04582820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38502110E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.63575043E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.10966020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "56": { + "references": [ + "dyall2009a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28086965E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89790764E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.25586977E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25800485E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.74618158E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55153677E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50409573E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60417226E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99760198E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40222266E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74287504E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32477599E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67709698E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63638149E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52943559E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40932382E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26816951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88200023E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74183377E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95118184E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10344180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08256192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18054891E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68813429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83867704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20291415E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06335810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86002370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84048861E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09846152E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53305840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.97190043E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59658232E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47800159E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.12160846E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76219279E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.47007346E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61907028E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51254788E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78578031E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21745021E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58915454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.10054941E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20788440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20721993E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18944851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.37282594E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34027771E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73499305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36826016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09661813E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94824110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23590520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35388561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45643843E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.51767149E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99851226E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.26579395E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09447914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44739556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.19015565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.71283436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95671159E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04718100E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56405651E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88634175E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47287376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.23682363E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.33032812E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29802090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.69569954E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.51074070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53761100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.38639360E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "57": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28338123E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90549055E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.31825220E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29672396E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96380957E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66522057E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56180240E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89304983E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.14214608E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47499311E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.11329939E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51591761E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77721815E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16882362E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81658670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56541550E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35070272E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33891990E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99539713E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09370575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19066310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60485812E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46112394E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85798204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90657121E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80671021E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37418211E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24997801E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71707171E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77981908E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08368032E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75393681E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83956028E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00866487E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05095529E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04243012E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.96608995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65050782E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.37759521E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48788672E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71906129E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.75007083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54559125E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38723132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28966181E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94921551E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65571312E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91266737E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36050901E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63095831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20744703E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19018986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69874571E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58799802E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.53815253E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25410919E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.15946860E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.46547049E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61947065E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.04447030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.16130026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19819959E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18118485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.31646862E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30070342E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69849430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.35573260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.56603843E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44726227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43753571E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.34542960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.53557050E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.94199520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.39474190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "58": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26682072E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90255285E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.31643616E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29969378E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99010888E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68072257E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56999740E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.93471656E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16342778E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48617206E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.17425534E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54997478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79642400E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.27834296E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88033677E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60418680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37954576E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51871232E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10689237E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15935402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23095541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84864182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59492106E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93160045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24515392E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96777106E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45443425E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46456099E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80226709E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81654853E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15115388E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87861271E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12755670E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08560434E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28060340E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11789085E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23832387E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75774366E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.83331258E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69411098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81712112E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.23504390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.79349382E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51594307E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35869594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31878463E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84900109E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01068403E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.80797861E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.83446304E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29532222E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47504695E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80640293E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62453465E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.96380310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.35942199E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.52317447E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.61481547E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68763723E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.37818765E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33238089E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28883676E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23012545E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.57870439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43772477E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76663085E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.66564021E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68406994E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48647306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.54968947E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.46917917E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.43590908E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.56922639E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63662982E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.92914858E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.90394373E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90796228E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.06859731E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.07826858E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64123882E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.60492267E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.60187220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.26644700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.54634910E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.46226520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.95069030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "59": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.25476377E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90240462E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.33335453E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31364409E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.08125890E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73325858E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59844760E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08224292E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23809632E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52360140E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36216645E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64517828E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84537679E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53323016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01372361E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67430497E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41523044E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70502661E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20761202E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21197173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25727762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.97198564E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.65967584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94591399E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.01094366E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76498578E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32837183E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40506742E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32900327E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63563932E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20065422E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97148363E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34300595E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14312841E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45157425E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17357496E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43654847E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83462669E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.15494299E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83733062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88408589E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.56059692E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95565505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59724893E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40038978E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.51980715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94068724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04157423E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78828326E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74146736E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22418746E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.12706476E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69413819E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57121901E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.37749560E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46138887E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87402054E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75843761E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75297683E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.69715314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.49526650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37486120E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27629329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82349925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.56401402E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82810287E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.93574063E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78302247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51780851E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63198788E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.28598640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.79147188E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.27985651E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49284136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.16769074E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.46761175E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65243058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.57328175E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.25056726E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.23536356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.69494403E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.21893850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.44451670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.73872630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.80259180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.37340510E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "60": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24995023E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90568935E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.37055469E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33930501E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23422496E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81579319E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64129959E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30117672E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34999401E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58091325E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65668476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79731548E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92455150E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94948146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23544512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79395290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47947415E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.05877334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40323233E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31608164E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31742401E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30974269E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83585867E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03701050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.40696718E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95616955E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41471002E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56606307E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40227902E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66890855E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26902027E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10165765E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64814142E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22530944E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69782656E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25444306E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72686895E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94819647E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63419696E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05282734E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98599852E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00623242E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21104531E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72993402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47155708E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89997266E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13813021E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14030790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02258729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.93504072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30551758E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.41570106E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80060454E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60589563E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.79664708E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56437421E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.22728738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90269463E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81846058E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.01622411E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.65788061E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46062678E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32217510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.06537358E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68780070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88744370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.18801068E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.87265925E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54403818E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.69179288E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.46469707E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.40614188E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.54496508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61836930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.79408848E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.78505255E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81036490E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.32796434E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.58647924E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36843202E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.22129379E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.73908920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60616820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.95157060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.31802070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.03155250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "61": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.17846744E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88927679E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32984658E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33118828E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23397318E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82823800E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65149733E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36438355E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38571358E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60043042E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.76253538E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85467705E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95567693E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01189757E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32828264E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84586921E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51191851E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.25220283E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52178476E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38855825E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36002944E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.55810119E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97680475E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11308098E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.75540356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.11817981E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49134335E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73569381E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47067396E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69827058E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33404352E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23052382E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95590918E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30910836E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95059019E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33772019E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02597301E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06506039E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.12646873E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27375890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09030068E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05750074E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47196533E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86462986E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54334819E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28064658E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33479118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23847730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06644263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13122726E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38858670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.70509769E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90544233E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63928453E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02147850E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.66678398E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.57747069E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.04532524E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88304578E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.33024916E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.81749768E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54463927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36691087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.29930546E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80635108E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94325464E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.41573466E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95077536E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56517375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.73167716E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.63449090E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.98937090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.79582287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73706905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.38518436E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.08320248E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95765400E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.02496955E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89271073E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.48774703E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.68598948E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.25199350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.76175670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.13288020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.70019740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.47966390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "62": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.00279961E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84664547E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20880310E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29752910E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.15314693E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81655157E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65555285E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41984007E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42665857E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62604039E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91211406E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93960126E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00350270E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03885462E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.48076643E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93253993E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56205400E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.53744539E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.68492552E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48041052E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41337862E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.86237715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13984604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19797050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01113522E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28800636E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56944680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90579990E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54080632E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72824204E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38971165E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35013215E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25178447E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39131415E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20169052E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42106557E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32636077E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18254522E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62133563E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.49575740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19505488E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10896779E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73361622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00005242E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61567864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66437965E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53266014E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33670843E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10962264E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32171700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46839839E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99199084E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00748284E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67161544E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06347376E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76933867E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.92710111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.18737106E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94720549E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.64149111E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.97524258E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62745929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41078176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.52671011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92036874E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99588545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.61995086E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.01809496E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58165405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75380001E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79899163E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.55362437E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.03799374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.85155441E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.95425408E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.36899625E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09792009E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.68270728E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.17810012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59704558E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.10457990E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.76565570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.91411520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.30971450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.10228600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.95012490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "63": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98556015E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84226569E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.19498032E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29282689E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.13815971E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81288264E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65559013E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.42804724E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43429532E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63164720E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.94978576E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96365694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01849718E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04811234E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53736114E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96709565E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58868814E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.70628270E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79240658E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54893005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45331297E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.09491047E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27487010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27109219E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04435887E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43902494E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64141520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10014933E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62329416E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76191200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45905516E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48963608E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58805796E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48338514E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48016628E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51276208E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65431632E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30984404E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01537687E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73310401E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30643599E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16342292E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00942602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14239799E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69152510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.06653765E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73982096E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43937362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15492679E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52217126E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55239566E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.31415686E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11915302E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70597157E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10530864E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87118135E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02731956E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32760687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01038928E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.94735695E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12986412E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.70847845E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45349005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.74619804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02928853E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04514617E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.79962009E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.07433391E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59347313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75848023E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.95981390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01044347E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.27396312E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.96299439E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.50723501E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.64556628E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23282262E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03097933E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.44691684E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.69821047E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.48520964E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.27746720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.06410480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.48734090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.63183720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.58157630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "64": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.87175024E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81478006E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11848266E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27282249E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09938332E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81292834E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66154519E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.47549352E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46398929E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64889239E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.04888883E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02150713E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05272476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06834806E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65599222E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03658772E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63111939E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96371902E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95299344E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65375837E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52088400E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.53447204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52094987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42309452E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14510421E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03901476E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96523127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80718328E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36961953E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05599358E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53761613E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65872244E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00938483E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60125722E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84231967E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63345255E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.08995975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48019393E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08708837E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.05481093E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45845356E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23826046E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.39263616E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34319933E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80057929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.66924386E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06457591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61644665E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25101039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04731310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81103853E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02553629E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45319326E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83470321E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14846041E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97595110E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06282433E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47111587E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07490578E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02590260E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.28708918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79070537E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49670355E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96738892E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.13858800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09418772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97145825E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12702649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60297727E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.75060917E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.47435339E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18842311E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.04694068E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33732468E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14245701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.67175009E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.78383303E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32321205E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.92445597E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.36782862E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.46350583E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.86364320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.27041570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.70606110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.44128460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.24962920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "65": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.86891583E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81736806E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.14363446E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28957396E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.20066310E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86878891E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69089315E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.62323060E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53628127E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68347990E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.21056730E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.09528995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08609417E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08376063E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72974338E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07266091E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65370002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09163327E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02835416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69829385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53860574E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.56888984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.55781366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42334040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11301118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75657266E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79122136E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.43607765E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74511512E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81186227E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58861106E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76534743E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27039716E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67310211E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.05934820E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70439523E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34032839E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57568373E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12626632E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22599036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53711807E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27593649E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57824684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43570640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84764165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89292290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.16441872E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64919272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24739475E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.93009385E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72296710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99410137E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34597368E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77428264E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19032526E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07727673E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09705042E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.60911471E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13679182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05573956E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43712332E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86893308E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53743978E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.17212768E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.23738583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13644949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00974268E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15841379E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60523722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72382080E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.27537489E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11827756E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.73488099E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18033302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05831336E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.18062175E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49158219E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14978354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.94731014E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88152810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.15570261E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.30901050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.37781690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.68006750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.06930540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.71367840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "66": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.75544116E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78853649E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05946990E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26700518E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16206662E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87775330E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70663976E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74852967E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61954752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73440045E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50908577E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26649295E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18275905E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13752493E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02595489E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23591695E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73991946E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.56114640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28439488E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83011335E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61475837E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.00645291E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77452995E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53256119E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15633979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97316073E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88598391E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.60946296E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83124472E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85006770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64768815E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89982150E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61351084E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77022615E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.35921406E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80425865E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.69865800E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71445728E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18404244E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48221480E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65677292E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33417321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87213788E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58705011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92808824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03179825E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.38235949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75652421E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29428446E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13601740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80873098E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03428504E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45836541E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80762040E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23323267E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18087527E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13195017E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.74948400E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19960003E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08595812E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.58875718E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.94785180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57841374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.37727332E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33598353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17826022E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02133801E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.18544593E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60505437E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.68480669E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.43145704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17149261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.96188492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.28720782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11109597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.44169550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.61680892E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20658801E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.18237712E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.96523717E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.45248180E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.83333880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.53296570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.77466020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.45900760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.97990380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "67": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74396933E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78651752E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05957833E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27095877E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.20013318E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90372401E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72216018E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83395213E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66486247E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75827654E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63613754E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33468089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21959805E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15761356E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13670344E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29762644E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77794449E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.78469379E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41811228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91709164E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66475434E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29109155E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93389301E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61609267E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18923617E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12828302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95897060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80558193E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90778792E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88053279E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71810344E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05221815E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.99504711E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87708973E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68679334E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91271086E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.08551969E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86335903E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24566133E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75395445E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78304463E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39535888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.17994471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74538935E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01214901E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07622003E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60946281E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86819997E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34358391E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35343919E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89974809E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07375624E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58094665E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84314165E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27674310E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.28568799E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16717379E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.89087391E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26275908E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11630476E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74080644E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02686031E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61926828E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.58033368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.43266209E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21847747E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03122173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20400381E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60136149E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63301015E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.58698322E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22443766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.18745938E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.39329713E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16340483E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.69950804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.73981816E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26195033E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.40880878E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.04431090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.72666816E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.35927760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.68662830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.85472870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.82653250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.19109440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "68": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67481543E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76618859E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97553279E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23038529E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98515139E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78856616E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66038522E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.50361026E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48822119E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66377926E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12879399E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06131902E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07165820E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07670086E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68322934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02878886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64768561E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.10643629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07987564E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81130453E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61007493E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.07102196E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87870386E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61303107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21159619E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.19852496E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00599320E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02294024E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97666376E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90527946E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78258083E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19943768E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.37266209E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98437540E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01866531E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02319588E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.48064516E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01549381E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30856986E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.03106319E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.91166407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45761808E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.49287599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90638765E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09765512E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12143805E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.84131830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98261257E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39455779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57943174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99493274E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11686262E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70978476E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87977294E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32073873E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39139345E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20259354E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.03268515E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.32595245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14659959E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.89220390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.10533252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65963986E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77932048E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.52639052E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25658788E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03908168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21295871E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59386873E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56802785E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.74222503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27720500E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.41200949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49879356E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21533532E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.95456460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.86087915E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31601026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.62730188E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.11907573E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.97981351E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.89085990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.84056920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.92462250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.14555270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.32740140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "69": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66736958E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76615940E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98989925E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24427958E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09067142E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85758897E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70290572E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75602171E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63413865E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74560626E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.57681755E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30369232E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20314408E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14926641E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09573146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27531158E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78417552E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88607751E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52198558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01509711E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72298452E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.64033820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.16463241E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74967977E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25881149E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.43758941E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10826287E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20072456E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06168921E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94193552E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85353060E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35848141E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77826419E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09927123E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.37332068E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14100363E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.90067323E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17658031E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37489674E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32202694E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04620888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52252189E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.81849855E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07433915E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18708548E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16895835E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.08514011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10293689E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44826781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81783963E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09509631E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16346089E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84390375E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91731130E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36556294E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49886018E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23851975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.17624749E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38983148E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17719043E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.04494246E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18440959E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70020126E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.97817679E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61937638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29384881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04564225E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21464838E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58328745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.49181490E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89741650E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32987560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.63589549E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.60387337E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26697628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.20732516E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98022267E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36888441E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.83844309E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18980241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.21320771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.04311230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.99619300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.00038000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.54056740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.54970740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "70": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56667501E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74059686E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90789395E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21546325E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98171415E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81261125E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68218865E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64908007E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57458642E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71223898E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39636234E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20888468E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15313252E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12186564E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93510636E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16831786E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73003963E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.59087024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36906992E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99089044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71511503E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.67260757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.21915297E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79372137E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28597887E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.55627006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17138134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43029345E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14986996E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97550318E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91079526E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50118567E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.15885963E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20989891E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.72046308E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25756159E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31893456E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33751350E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44125435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61327478E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18090789E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58751212E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.14407205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.24075052E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27501259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21518925E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32185153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21962478E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50034990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04837986E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19276188E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20948200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97237675E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95318644E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41103572E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.60772785E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27485448E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.32123272E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45425584E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20800363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.19858728E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26383107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74080097E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.17612005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.71122536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.33006841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05076911E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20853816E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56949824E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.40445392E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.05275174E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38251510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.85938957E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.70865322E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31837803E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.45805393E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.09800878E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42066072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.04264050E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25667533E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.42774540E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.09797440E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.15409370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.08401890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.07279680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.91565980E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "71": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.55650136E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73886198E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91344574E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22576249E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.07029677E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86949937E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71467229E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82306330E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66646836E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76203109E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67372388E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36410892E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23988397E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17055788E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21125251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32905246E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82211001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01367444E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70071423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16227297E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81518771E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02069341E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52522888E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97292486E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41410988E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31338676E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58240825E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06367984E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.13097208E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37468016E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00217284E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71395519E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.71428441E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36993928E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22107654E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42561587E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92272369E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57025238E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53743557E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.03667220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37754623E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68277943E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62526131E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48977580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40850578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28804944E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.70694491E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42387532E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60876305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.63265082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47737464E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28596525E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32221771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09728806E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45678916E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.71680598E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31108653E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46520373E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51799705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23839876E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.34960809E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34160347E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78028212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.36661700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79861695E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36375307E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05381519E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19411279E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55293490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.30484201E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.63086247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.58108768E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.71814617E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.12424298E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53215848E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.60448133E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.71339875E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.74636679E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.69174849E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00483695E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17386119E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.58577330E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.98590290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.75807270E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "72": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47387190E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72158300E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88759957E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23692904E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25793831E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03155111E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83018986E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.56085251E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11052469E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01870177E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01220109E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17157224E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68786995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41891787E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59590969E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11484202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22485262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22723073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80317008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66243221E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09940142E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17604417E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26099040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33692332E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55564497E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.19965847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98603844E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23617130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89567436E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67729126E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07433271E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89981095E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.22089317E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51961389E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.69676642E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.58693776E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.50562232E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79542451E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63048935E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.44580981E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56724576E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77453292E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.08782228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72919814E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53705409E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35825489E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.08017987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62483170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71640682E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.21486362E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75706116E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37243308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63671743E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21488058E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.72524233E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52891276E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04082521E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.79652460E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75071735E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.58216251E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.35209497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25729362E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15980782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.80172020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79991459E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22507431E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91171836E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81605533E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.10065659E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.14435448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41220015E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.97547640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.75700059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33686492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.49941524E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.08799631E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39458851E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.72547744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70220258E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.06070230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.98476058E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.87378800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "73": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46340897E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71911950E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88216787E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23756519E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.28526975E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05868804E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85067044E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69478039E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.19167039E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06553889E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03852534E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31719519E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76752410E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46211665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83105255E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24626950E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30092608E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27326477E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08337179E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82295904E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19742190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23446251E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.58291202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52577272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66419669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83973533E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.31697699E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38987593E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.48509651E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90242612E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16396697E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11790871E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.80417061E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69031577E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.23615580E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76908002E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01610704E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04748978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73418067E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89980606E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77698524E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87562423E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.59593609E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99143275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67713172E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43441029E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.48174751E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83983890E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83004522E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82113985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04284599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46662789E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.95254291E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32307321E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03124245E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67222756E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.52884868E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.99482921E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84037805E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.01824421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.57395123E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37394629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22167235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.12640703E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97150404E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30997466E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43707380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08705756E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.24452895E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.79781620E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63620422E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.94584107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.22554049E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.57856089E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.79373118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77892969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75135480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.36943084E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20915474E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.62244430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.11928633E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.23484990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "74": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41018810E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70489853E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83172802E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21674430E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.19067252E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01635627E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83347184E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63415862E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17500855E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06388903E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04104107E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34910785E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79598694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48390359E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.97876636E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33738585E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35243925E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30186961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.25024908E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94137929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26968708E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27882613E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.83884335E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68337589E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75976731E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.38336790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60600973E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52587336E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98528887E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09430068E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24544773E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32854740E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03831690E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86258639E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78650783E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95631043E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08377599E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30814488E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84138849E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36873085E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99336748E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97979850E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01183828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25965396E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81957226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51139595E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.88574213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05650421E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94352021E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.41911766E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32086298E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55320744E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23521199E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41814578E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09440668E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82590536E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00506052E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20641404E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93596219E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.48318785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.81079983E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49883902E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28835587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.47991139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16168325E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40832492E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.98056754E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.35135087E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.33820662E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.38338168E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83656052E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.80869452E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64309995E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.79326205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.94381629E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.39438207E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07200822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.89768088E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74587115E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.47390320E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.41552147E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.67125850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "75": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35989718E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69194013E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79498858E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21052705E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.22640450E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06411159E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87016706E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.87685669E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32560748E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15308862E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09303061E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64950603E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96549833E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57645826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47487261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60492333E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50001235E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38500901E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71304453E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18022714E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41233390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36216426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24621484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91034367E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87808960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00649849E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94407902E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65778728E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48909768E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28513445E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32614724E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54223770E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09782849E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04117876E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36034385E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15224712E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15470738E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58126104E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95352193E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85802903E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21860206E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08798095E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06594548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53659266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96601090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59010198E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29969813E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27886258E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05882521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00172240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59438851E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63359634E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.49077440E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50175901E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16164850E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.98897975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06024970E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.42962247E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03658556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97171379E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.05928203E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62976468E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35829694E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.85124977E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.36256728E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51388549E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.53697107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61385847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.41051909E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.95193446E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03070277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.64178247E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.04690209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00073032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00564871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.99110583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38362025E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03678508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.28336572E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03979990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.73365348E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.13246190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "76": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.27257269E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66927915E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71679959E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17813966E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.07191080E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98939869E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83478815E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.70361249E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23711398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10760757E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06894071E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51580509E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89152476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53796302E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28856331E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52005327E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46990980E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37506195E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70496599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21605555E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43826749E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38210059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41986285E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04009529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97882878E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05700550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.21154994E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77568447E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91576003E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44900771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39734780E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74559720E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15631962E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22010891E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.94253296E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35270374E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22763581E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86268125E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06911502E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36222180E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45052337E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19927405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12165441E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82394657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11914998E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67328653E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.73361436E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.51294839E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18307259E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06553469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.88568590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72513914E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.77999023E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59125352E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22945038E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.15283727E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11550040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.65242515E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13684795E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04579982E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.30670407E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76026356E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42818138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.22394460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.56592290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62200984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.09505431E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87447219E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04746313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.49326891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21493483E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.42927397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.42803266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19601762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11016202E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.55197385E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67846358E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17912467E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.81290373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.23296840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.03113771E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.59700730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "77": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26557070E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66799660E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71455573E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17849771E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.08259290E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99782342E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84025972E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.74176091E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26566156E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12815094E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08306261E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60832544E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94932441E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57299248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.49903454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64635475E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54559286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41952066E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96745323E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38085683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53906014E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44301622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.76860402E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25156806E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10232188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12441609E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54664820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89433942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35966387E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61515649E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48528268E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97869821E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22172119E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41766894E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05803433E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57111011E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30672506E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.16635447E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19315193E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.90010707E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69659438E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31678328E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18017066E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.12372161E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27752726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75850063E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.17824141E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.75262779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30848545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12927921E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17361591E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81009789E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04237184E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67125639E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30076028E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32472136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17328227E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.88476841E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24112930E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09624763E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56278835E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89510340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50030823E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.60835220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77609459E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73446034E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.66615746E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13736839E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15376445E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.01737751E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.39283326E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01882436E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.79525186E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38412853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21080600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.09289243E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.96414114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31820351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.33544605E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42588700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.32313128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.06628930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "78": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23420892E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65899440E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68116212E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16484183E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02504897E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97530860E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83323908E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72993169E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27067310E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13512541E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08831873E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64294132E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97163388E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58715347E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58678103E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70062704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58419336E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44521405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13902372E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48666004E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60540936E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48571344E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.01886656E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.41202599E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20284608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17470525E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80381761E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00629250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76560267E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77078534E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56816279E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.20810428E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28741914E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61867997E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12348863E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79653781E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38862603E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48115986E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32167481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04567665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95087586E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43802442E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24045191E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.43245977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44043695E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84606294E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.63428838E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99885830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43707997E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19413604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46504578E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89449186E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29907816E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74782345E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37262779E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49719416E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23101317E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.11612320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34473881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14629999E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.81679073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02888445E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57194762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.99126375E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98671881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84805425E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.23896247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.40065701E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26055379E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.53390681E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.56761361E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09322089E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.15465796E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.56806054E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30913817E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.62207100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.24480990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45574803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.85551654E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61951390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.06377326E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.54812010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "79": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20722185E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65203591E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65791538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15623033E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99306481E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96414959E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83059018E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73616208E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28555453E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14864996E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09813562E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70796184E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01343252E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61404252E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76047503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81220084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65695654E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49025873E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41074448E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65028217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70322634E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54290092E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33768986E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60569283E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32465197E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23675190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11377850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12094928E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.19014878E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92996891E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65072863E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44146920E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35503096E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82714630E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19172564E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03235178E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47444090E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81092180E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45606146E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10373337E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21538265E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56384824E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30289570E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.75225361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.60892673E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93652205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01043048E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25279113E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56950900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26038793E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76109469E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97865855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55119224E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82141897E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44781015E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67716021E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29106678E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.35609420E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45192758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19794849E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.07825792E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16631231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64540819E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.38347565E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20264263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96488353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.82342970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66732051E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36810745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.04603731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74042218E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16667491E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.50923691E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74952889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40612577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.14450483E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52275993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59267636E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.37589250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81456950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.20070770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.05284810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "80": { + "references": [ + "dyall2004a", + "dyall2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12469008E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63000198E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58135711E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12640907E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86684811E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90779773E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80369752E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59773549E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21024785E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10667513E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07455838E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.57522121E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93833272E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57096876E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50730159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65857114E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58020082E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45133810E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.23885044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61241165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68797286E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54467071E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.42550174E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69598090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41595084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28093959E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38447244E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24481117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65966421E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11919795E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72039001E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66150036E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42173815E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03843590E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26214315E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27883259E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56495125E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16080146E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59916366E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16569241E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49810622E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69851209E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36974621E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09420476E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78828185E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03243813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06003768E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51996470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70842935E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32946819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.06782224E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06510308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80716257E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89365113E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56799497E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.96521969E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38730221E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74157103E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62484917E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28173466E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.50548228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39286102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76854909E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.04625288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56392220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16373781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.86526299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17692814E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58951527E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.70518113E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.96276315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26111670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.96664184E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98407780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53224830E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.82669725E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.88627997E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77363778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.12091882E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.11236180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.36258277E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.70234600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "81": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08065886E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61819739E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54011652E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11035998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80336594E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88482357E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79728915E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59295390E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22230583E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12016222E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08528266E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65073069E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98842819E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60331928E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71523927E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79269345E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66890167E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50914461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.60893478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85695076E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84941168E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64950587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99556157E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04580944E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63070922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40669517E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10350554E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60605843E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16832538E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01391846E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42753717E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14041033E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30688276E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04933497E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57357790E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29209962E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.93242075E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98386651E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.40802025E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75210542E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75737824E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.59182412E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.35233370E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27084287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20836151E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.46569645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54604117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93651311E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02935156E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47511333E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75810139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37743354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.43505311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35622566E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85719824E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.24958305E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03881897E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46725832E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54761056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03554117E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.69737280E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28853172E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17228804E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.18961286E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34166896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80401385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.55801447E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.01774026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53510172E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23332218E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.69796609E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46388080E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.99285125E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.39007663E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.19312209E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35882918E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.43981621E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.22692107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.66305546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.53817185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.27104494E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97350016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.08022357E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.97511750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "82": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03798479E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60690745E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50158015E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09541152E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73747986E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85240024E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78043163E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50480279E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17656436E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09673002E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07363806E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59612309E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96529042E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59507762E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69510257E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79292554E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67978643E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51962899E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69502226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92454742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89250027E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68005206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23723643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22327683E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77804722E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49086619E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65783736E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97829937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36025214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89616920E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48876065E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16821975E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41127699E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08859283E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72414988E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35125079E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17028736E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08204042E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82465553E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93487429E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84103284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99380189E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55452747E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37621095E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26467890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.77241843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71724457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03301293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08287874E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78253851E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93572621E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47773217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.01333423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63794096E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04471072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.97592513E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29356064E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.06417412E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74121675E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11092616E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.02922099E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44704323E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25285235E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.61554572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57496541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93406179E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02760058E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42011456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76252810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35839970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.38064514E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81842020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06118956E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00520285E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.41495533E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45275798E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.89365180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.45975469E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78845449E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.22196908E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.64266605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16866137E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.02167191E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53085016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "83": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03119892E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60514899E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49460224E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09217826E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72286077E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84554484E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77691456E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48420218E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16392597E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08885196E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06852884E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56164908E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94187439E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57928191E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58800210E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71603844E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63672055E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49608973E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58643392E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93302357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90841122E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70043921E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45188226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39079397E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92544119E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57671776E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22623938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36549072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55529714E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79945828E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57163117E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20200125E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.53385085E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13288565E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88809084E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41393227E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41758767E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18252541E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.24851014E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12276827E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92853126E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.41674992E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76445132E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48295911E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32043796E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.07329278E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88439565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12684889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13562105E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.08939127E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11500618E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58092243E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.62751069E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99503627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21713018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71368957E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.60564710E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.79426902E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97738965E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20263396E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43209485E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63926977E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35047079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.13190618E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85781649E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09198210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11516104E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.91228033E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04303186E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51355417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.22430784E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25039533E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26579892E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07030290E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.63238800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54467335E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.33683554E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.68697240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91071064E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88941892E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.00681763E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.36158202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.95517091E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.78625800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "84": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04132058E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60781395E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50296684E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09487767E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73598814E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85568070E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78562706E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.54972388E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20812353E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11623560E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08446488E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64931617E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98767414E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60218822E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69844819E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76533840E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65861795E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50451696E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61199521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.96704287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92099898E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70811312E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.56814016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.48420451E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02567504E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63701424E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.66086655E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73699821E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74012749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.67323249E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70483094E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25428734E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72157602E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20167538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14740809E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51433022E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81666935E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34651738E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.94478784E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42681812E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06558607E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00588033E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07734618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64074877E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40231877E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50681654E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11869237E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25585038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20443832E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.46951983E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32581203E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69891908E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.30278160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38402297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39823852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47226927E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94476700E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.58557164E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23232873E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30121862E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.86354416E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84457341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45444577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68140169E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15825297E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25967572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20861528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.43980393E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34518237E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68154993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.14193870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.72050658E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48634616E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13495050E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.84763958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63553758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.77420903E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.91113585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03125894E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05482774E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.36738054E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.55387945E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88738949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.21912863E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "85": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03482564E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60621874E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49836954E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09388542E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73977311E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86231251E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79228388E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.60618208E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25144821E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14664496E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10454999E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77583526E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06466756E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64794396E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96629450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92144919E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74964998E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55808898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93225315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14038576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02064999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76300850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.92098026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70496630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17982594E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72804337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.22656942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13080993E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93665037E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59565072E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.80820295E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29759559E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88229312E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26152758E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.37471764E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60307011E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.17330592E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49335845E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05659290E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69918962E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18969792E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06453783E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.36400181E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78500036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47694036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.90307293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33302353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37341985E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26737102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81901609E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51776239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80703762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92798270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76241232E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57474650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.22057178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30243632E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04185084E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49974095E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40424481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.31289497E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05788923E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56221370E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25040579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46867205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43279458E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30548231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.98796665E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.65962865E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85695263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.10450738E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21483577E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71535619E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19973926E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.06254277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.72608505E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.20928786E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.13405247E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15110240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12039677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.72709106E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74673093E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08233409E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.72950677E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "86": { + "references": [ + "dyall2002a", + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84798489E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55661447E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32787165E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02832277E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46297726E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73833194E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73395901E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32206424E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10893642E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07335353E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06600587E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56967131E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95281483E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58620869E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61735059E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70952776E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62643649E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48209526E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.44019334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90578503E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85826415E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64592887E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.43696688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42043507E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07806857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68144512E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.00631872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35448673E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06144330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.27636781E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77708571E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30667777E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94562797E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29131783E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.50325792E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65743754E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.40364278E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59205726E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09965430E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89189488E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27873625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10714451E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.57491838E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89263780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53336179E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.20609431E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.49955347E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46562537E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31769463E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10603253E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67730712E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89843313E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.46659718E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11732737E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74318443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.95136360E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67507519E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12841311E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77649334E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51038247E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.77379248E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.27595657E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67204077E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.82948435E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78401338E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60866844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40437654E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.54960079E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98257799E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03796235E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01041437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.73001501E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95078075E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26483434E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.27823687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81692888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.64528882E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.35732024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27103637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18603298E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.08776747E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.94090639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17660739E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.31008520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "87": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84196158E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55489550E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32052997E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02463280E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.44514761E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73024103E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73063388E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30943141E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10470458E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07234456E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06624138E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.57596093E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95949290E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59211136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.66647585E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74626472E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65685980E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50639792E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63135729E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04487758E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95248801E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70665602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88867584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.74936667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40996084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89469745E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04681411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33574655E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72443061E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35952190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30440000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95071293E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14641119E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11329999E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.91216192E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36496714E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16654993E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37525890E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82822160E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78632351E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92795002E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81096909E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19362332E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30832703E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47003764E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19844186E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.02692163E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12357243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65512337E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89694352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90855952E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72188201E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48396883E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16682727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39962249E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33315518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20395993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63616073E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62575587E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18122871E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47761560E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36812410E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52390997E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23487907E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18182539E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24611481E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15247688E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65436553E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.39821035E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57135609E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82080645E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.61576628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.21264869E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84920445E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54160560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.33391609E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.43818447E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29598719E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15583880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.55490414E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44408603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.86904540E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00829277E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31948775E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.45835513E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89257078E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.00659061E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.54248602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37114913E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24246133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.42061937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.14407465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27780943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.99564783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81280960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "88": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80565570E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54524704E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28705247E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01159919E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.39348648E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71281160E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72944470E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.36497948E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17673584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13502834E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11189842E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88090825E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15917077E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72294310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51443107E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29721346E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00187725E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72510500E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00277953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86476426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51299858E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09488964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19638314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.11440168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21057962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34582823E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31510348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77422309E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61549960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86223187E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47483700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23951224E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56556662E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00564657E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41078956E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.35017805E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44751581E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11458884E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90182872E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40364943E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01125681E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28002327E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69223184E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64671585E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28291666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44582958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33762712E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76771530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.48098978E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.19333028E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85329696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53238118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31968300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38897906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30318048E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17321581E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01525933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97087111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47749661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00679983E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77053641E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24964369E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.73211611E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37211900E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54949200E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80458301E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.04257989E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.87334073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97153465E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04071526E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.64127047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08907736E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67890972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.11756466E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.89199077E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55374053E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30158105E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.38505218E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92330385E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09463920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56605274E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38629006E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.67836732E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98496918E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.44903607E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.76903467E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49302970E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30959204E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.79505201E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.35161155E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38210100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.68426794E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12848990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.75932963E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "89": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80130752E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54430109E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28527623E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01211496E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.40746453E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72650286E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73976674E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.42856534E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21022382E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15066737E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11928839E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91718825E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17278903E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72293861E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46064158E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23220851E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95849893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69798398E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.87142783E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82685558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49922667E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10207642E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21649208E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28637531E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35874102E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44751973E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38878150E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.54856070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07471016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12815869E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08049053E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92750818E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86719733E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11255540E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45856074E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53380650E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51794135E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.38938665E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01148276E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.85152079E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19868707E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36049147E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04765670E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80880746E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35945386E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.82020531E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52689653E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87354512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01626231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65040931E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17132433E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76021024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.83973173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44995537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95903323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57951001E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.97519606E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99213151E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93619252E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.73047442E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45197369E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48467776E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.51223994E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25021563E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.33957348E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86503427E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26081628E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.03127572E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05893670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62060169E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.82921372E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91988131E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75439015E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52232301E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.43462682E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61006288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45250007E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27425477E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.30663686E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63749498E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05242310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92731817E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59681734E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.37457893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27831661E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08705579E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.50681562E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.90070696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54306286E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.18204144E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.21341358E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00694265E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.14803499E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.29253480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.24908020E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.38719010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.71390100E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "90": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73546654E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52663363E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22264725E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98648407E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28683546E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66333555E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70393510E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22006853E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.09160502E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08740468E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08821236E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77856860E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11886483E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70714667E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45440216E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27505145E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99801583E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72657653E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00725341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95544974E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57179240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14017785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23424345E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31916889E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27236181E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41655465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35907940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71812427E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17307405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21437267E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14516911E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.37304321E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07352474E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17358513E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49562766E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69212720E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58252331E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65163472E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11901827E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29961006E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38918913E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44332499E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41742993E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97903836E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44053520E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.21976874E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72985836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98061006E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07487725E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97561224E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35869081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86939472E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04709775E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82382333E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16556916E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69859087E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63335883E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36780757E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12494205E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47274779E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72572185E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59010926E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.70532459E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29217430E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46211937E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90771188E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27763340E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.10329140E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09188119E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63629447E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.90650717E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.95874266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77394449E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53191993E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.48478925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.63440984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46596080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28170935E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.36002165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82909560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18316635E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59558674E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10672197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.73712703E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.58563166E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.47412617E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.73602931E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91133504E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.79270356E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.89356816E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27309199E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.80565731E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.86411683E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30497697E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.67663520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.98949910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.76856440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.93675140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.10592700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.07663810E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.01943960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "91": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76066586E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53330988E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24443479E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99394726E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31464667E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67473805E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70948981E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.24982075E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10685574E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09310968E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08818578E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75185017E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08541385E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67630259E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.20364861E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07302703E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85301180E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62083524E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25022566E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49966961E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24980550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91392241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13827096E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.78605239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14962214E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39864827E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37905561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71434098E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21376414E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23629822E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.57957583E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12837515E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95884943E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25757994E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53016586E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82246161E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63204561E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.84338636E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19508321E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.60850387E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51729557E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49757453E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.65282188E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08427019E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48921128E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45288665E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84521300E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03927219E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10523340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13455693E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44043754E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90941469E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06846282E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.93146271E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23099218E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72764783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.71896836E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34197933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09326077E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.21010500E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62374166E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54575878E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05911197E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49745718E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.10885266E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.15052049E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38064789E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58188948E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32909042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76023221E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.57807041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.33372866E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.98648211E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65267777E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.18292078E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.04009477E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.69515415E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40515512E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.96096851E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92114841E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16138837E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30136111E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12059073E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.78109512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60367912E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.55357046E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77374959E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.92860222E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.87952306E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.94160467E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29263317E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00721685E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.08826436E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43589540E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.59016610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.38481100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.28703680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.88375550E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.26419700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.31754150E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.22006800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "92": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.66886267E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50892968E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.16047520E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96161434E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.17952534E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61558027E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68272564E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12575762E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04875779E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06594886E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07540512E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68984978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05473877E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66171064E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14401131E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05672652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85403992E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62928892E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36093827E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58115962E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29572548E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91486984E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14242164E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74627252E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03651896E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32173132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30523335E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34092343E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99654152E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13808680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69400033E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.15411360E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97704118E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.26997043E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55031024E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.92252723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67576293E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.02812982E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27286191E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.93835145E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65895350E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55940490E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92848865E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21060196E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54901411E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.74553591E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99278919E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11505005E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14423001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33492658E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54261746E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95645774E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09242892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04614224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29863040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76454665E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89053986E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.41827612E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12886942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.30305708E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66160787E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56289260E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10309490E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59792086E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.41855414E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26410001E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42790526E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.79816182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43526466E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81520570E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.87355167E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.49730741E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07826352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70413108E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.47870149E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.20908315E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78931303E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45399687E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.18994800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.01211589E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19212031E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.39151099E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15235695E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.88491767E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64709530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.75678965E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.87582288E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98140169E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01647698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.10395591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.39102783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06516458E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.39983569E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.58084240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.56834550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.65105850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.23542160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.74962620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.11597200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.53702070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.64819920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "93": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69383908E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51562553E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18335988E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97036247E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22136303E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64036603E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70100898E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.27043755E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16179720E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14893796E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13304283E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07308703E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30245315E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81904931E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01348291E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69224748E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25453153E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88318207E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10072867E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52450475E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90789029E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33279975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37139408E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28683608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09734651E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90186274E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66575907E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.05566640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89393645E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55048435E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.27182879E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45041921E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08797655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37147562E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59385592E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09112620E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74123466E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.28630940E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37671520E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36477246E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83767950E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63591659E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.26399617E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36196322E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61954180E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08539610E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16185866E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20330755E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19311156E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61847209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71468544E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06571438E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15931006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.46362882E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52913981E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88964838E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.52318223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71859998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25942685E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78075302E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83449182E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61512249E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15327168E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71198333E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77301775E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39648941E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48391465E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.05697773E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.56246955E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88068816E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02214225E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.68655511E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18213836E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76123830E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.80141761E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39097196E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88859533E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50435892E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.41990510E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09842134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21914935E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46053997E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18697991E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.99825859E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.69453748E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.97975621E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.98810849E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03973240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04799110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.28157761E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49866211E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12563737E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.70940611E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71948308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.95426610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.86395690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.02525150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.73523460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.14056420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.77993490E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.14630320E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "94": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60520573E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49198227E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10142040E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93833001E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08019532E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57150903E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66499726E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08218475E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06794731E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10500232E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11462283E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01964269E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31248331E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85057873E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04359907E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91216304E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38863762E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96135698E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14326267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.91813539E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17931244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51975359E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44577277E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.65217189E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.20132538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95902073E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67956846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90468646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72745423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41963099E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28296096E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95850019E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86220510E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37016368E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60803063E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.16905261E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77670738E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.43961543E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44211823E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.64421170E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95813957E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68854313E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.49800868E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.46840457E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66928699E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.32475259E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28038376E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26370352E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22455519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78441094E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80070572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10814070E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18247145E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58438109E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59346374E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91400107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.51687594E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63754688E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19359941E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.39316062E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68673525E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55093629E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19160302E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79880026E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.03616399E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49031659E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52170214E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.22415193E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64218017E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92104427E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04353935E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.80455425E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.24867864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79873741E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00187522E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.51414717E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.95602974E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53724002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.55533519E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14634904E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23161267E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.48139286E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12520051E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.78870462E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60480842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.53295619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.74987879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90408843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.70144309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.83649734E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27147769E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00726544E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.10332734E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.44410755E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.13231780E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.97485770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.22102570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.83887270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.20418100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.95864510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.23172900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "95": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.62921598E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49831249E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12170923E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94499820E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.10347516E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57992758E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66780957E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08284304E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05783323E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09584274E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11044126E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01057244E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30987097E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84450874E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03564083E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83136204E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32984556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92206159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12128447E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71501597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.04417268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44924759E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44080197E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.70696546E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31986510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05657755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74998803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.40226402E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.00191715E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56341757E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.36503211E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03344002E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90199863E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46186700E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64778890E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32454977E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83758173E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.68114213E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53969641E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00460272E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12677893E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76068747E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.81349858E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61021279E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73514055E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.64113981E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43728552E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34462243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26809304E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02635944E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93880422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18761396E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22911271E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.85899255E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74707949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99474514E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89464824E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.80599275E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26397212E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63933799E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77224887E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57784528E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22605139E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87640764E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.27331958E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57658982E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55727991E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.38501798E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.72016625E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96092606E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06478367E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.92149139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.31421238E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83559669E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02324641E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63561028E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02150901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56830189E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.67476799E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18675114E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24042264E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.48644562E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16647528E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.92422322E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.66164216E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.80134070E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.88556962E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97505905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00836059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.04340624E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38943814E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06962531E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.40250464E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56965216E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.10962040E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.19431360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.97569220E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.77916700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.13164100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.17376150E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.72897100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "96": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58441596E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48631179E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07912820E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92769409E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02749050E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54581034E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65244836E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.01731383E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03672899E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09493017E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11609977E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.06698756E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34346190E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85677712E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03610188E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78416766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27830857E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87937347E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09016403E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53371353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91531437E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35033688E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41504115E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.54434307E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.00934329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89887018E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62474703E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.07876922E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88748634E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57536739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00679291E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72455971E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20619682E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51929286E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68361051E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48286746E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90405134E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.95769232E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65546729E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05364281E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33760194E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85285392E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22467858E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79833598E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82384648E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07314862E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65420452E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45762756E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32908897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.36156121E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.13007923E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29821011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29357266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.24417320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.97092005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12372313E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06361077E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22401021E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47680502E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.52953523E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09585763E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69942712E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26465200E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96447235E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.54283975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67444308E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59745603E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56549749E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80686072E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00469836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08767432E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.04431086E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38095070E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87212952E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04380046E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74798401E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07930164E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59357724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.75179783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.21006440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24249461E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46790235E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30171153E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.37285426E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.85104821E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.71514299E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.35830648E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23204897E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15134859E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.85016847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.83084639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30469650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.59067822E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.10198555E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.78857860E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.58891550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.16469100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.80836090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.05893410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.43969330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.14373400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "97": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59425318E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48877318E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08640623E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92983114E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03442517E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54804705E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65341722E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02133179E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03570351E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08978593E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10836962E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98591402E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28026559E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81827580E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01722480E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71256660E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26150908E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87948006E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08817968E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57541269E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96968518E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42995167E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48912948E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14815037E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37671763E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16508784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80583696E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86852985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25690722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70683885E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.74500205E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18745842E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96811030E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58688536E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71487394E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60905492E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95444121E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16022497E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73794173E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08774144E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48083166E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91399942E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.49055325E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91664127E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87797590E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.32831844E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77807474E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51942825E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36059868E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.52647101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21528748E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34084125E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31693485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.36302754E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02795419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14150287E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05884148E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11340415E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39285169E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.09735894E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92856047E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62680572E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30425911E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05332532E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.81176845E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77127553E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63700147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.74274766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.89209414E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04791765E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11045186E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.16773178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.44886394E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90982913E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06520422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.86578891E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13976115E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61998242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.82990509E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22925955E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24205843E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.43691871E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25020666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19832062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77639835E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.34258353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.15907632E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.11812568E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08553719E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.46024264E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.62053827E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18928941E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.96770112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.80381137E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.74230990E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.67840860E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17584270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.95448790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.08895600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.43880730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.19966010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "98": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55115460E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47732101E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04581663E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91317914E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.95745312E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50922148E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63207696E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.89393710E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95458803E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03831438E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07832973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83499196E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22032667E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80552097E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02423313E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84113818E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36539974E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94683046E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12823934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.75513638E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01940331E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36398251E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46950783E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.13509821E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69795973E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36886883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94808022E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03422531E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51830912E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82521941E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99694147E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30556467E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01620071E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.62450723E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74167298E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73220467E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00724916E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38295227E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83202949E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12780640E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65331689E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98922794E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82424139E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06802042E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94860267E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.66813913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94657221E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60609149E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40688354E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77830748E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.35482379E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41834302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36123997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.61310937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16503136E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21149502E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09108625E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25430375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45114858E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.29305074E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99364282E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64711644E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33707913E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12745286E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00377765E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85309788E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67048101E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.89221179E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.96339405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08365407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12906511E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.26730535E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.50316847E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94007742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08233101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.95797766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18483437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63714449E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.84805372E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22599979E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23361422E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38078440E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29163858E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.33358900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83299360E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.60953505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.29415470E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18893849E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12390866E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.66793093E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.73366409E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24702676E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.23726959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91427794E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.56869110E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.91274260E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.25999820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.94218230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.02090030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.62620590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.54980040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "99": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54821004E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47647322E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04183250E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91084906E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.94437385E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50225814E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62920456E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.88990464E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96329763E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05022371E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08800168E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89128677E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24229447E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80745237E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01877928E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77805695E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32942023E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93623502E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13186248E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82910174E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07209510E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38377136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44866008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67920720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.13464122E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95784230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63870344E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.92365899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74982401E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49178877E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.28522947E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.34718138E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03187490E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69718433E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77861949E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88759572E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07103449E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.64479238E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94055279E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17338368E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84763833E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07342083E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.19573576E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23569287E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02641670E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00404499E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13005785E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69942352E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45568724E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.04043832E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.49908791E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49749726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40672266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.87666798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31153993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28788138E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12676369E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41113237E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51581112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53940675E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07518744E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67196035E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37196026E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20611447E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02753123E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.93806506E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70485059E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.04431579E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03549598E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11960714E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14770801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.36636402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.55678698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96987016E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09904370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.04649450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22670558E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65178706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.84168073E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.21109113E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22065358E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30916326E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33580165E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.47743675E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89301017E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.89166195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.43634165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26317927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16398091E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.88388387E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84943099E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30528420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.50590247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.02297123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.42381890E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.13978070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.34081370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.97873010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.82152400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.79924370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.86548330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "100": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49349262E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46188175E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99104261E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89094911E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.86049071E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46620726E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61436903E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83440010E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94626533E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04780117E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09100261E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93811422E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28758106E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84145681E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03935520E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87587903E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36305371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93613074E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11112619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65294326E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92661851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27569498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39077206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43232825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02118464E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96781507E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68234561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51829765E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19794251E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75031026E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.42294269E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42944361E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06805804E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72163529E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80193141E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00208630E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12193007E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.86451120E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03486732E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21402390E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02431742E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15112428E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.54249469E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39345993E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10002136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03938977E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30485757E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78876774E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50279808E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29457975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63871796E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57402212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45048922E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.12515766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44780690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35768613E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15876298E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.55083928E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57338201E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74559766E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14252197E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69258466E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39973148E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26983341E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04690387E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.00758534E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73306005E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.16918206E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09454433E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14881248E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16266541E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.44402243E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59780241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99283588E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11190090E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.11312349E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25614611E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65943711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.78819321E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17744282E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20110292E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21687511E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.37930792E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.61889221E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95199473E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.16904397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.57630452E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33639582E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20363562E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.09823474E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.96368465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36244487E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.76799210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12829175E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.40868700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.36902140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.42193210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.97915070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.45648200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.96014430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.15168840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "101": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49060392E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46094491E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98594471E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88767056E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83846345E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45055321E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60277272E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74937684E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88653088E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00860346E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06706802E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80399296E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22182318E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81446771E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03036952E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84672492E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35939734E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94365650E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12069354E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73296179E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99529409E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34273171E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44311209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83219100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19078335E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11981105E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86092168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06777044E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83558568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00945546E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.77142933E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58654914E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12479606E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.79185746E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83831193E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.15700389E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18614554E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13053716E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14601043E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26098997E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22541295E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23846216E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.92821802E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56750774E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18070030E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07792821E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49444208E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88512877E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55328580E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.56478710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78650006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65498093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49674812E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.38877202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59280951E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43214303E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19291890E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69962943E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63399269E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96952321E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21490641E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71439074E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43192153E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34027634E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06782899E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.08148443E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76254032E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.29758925E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15449476E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17817781E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17760188E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.52087541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63802816E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01544994E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12447932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.17764830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.28382301E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66577594E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.71709634E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13403070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17767873E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11111798E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42253581E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.75914532E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.01045286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.44388646E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.71512476E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40912700E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24317173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.31267542E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.07740716E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41901789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.02612937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23138299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.25638570E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.59942110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.50321850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.04672070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.14079020E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.14533370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.49343200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "102": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.48873323E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46044379E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98394027E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88698369E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.84491641E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46468753E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62126777E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.93981200E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05938801E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14668298E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16627323E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.45856091E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63185407E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06805122E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19381419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01114574E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24816004E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63492077E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63822640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00044584E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18187843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74881649E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13742015E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29684859E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64343684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40214168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47506410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27415370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.63889738E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30301814E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00881206E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76791773E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19728032E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.86293757E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87554746E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31728966E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25323744E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.41053933E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26369525E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31099681E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44060210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33230435E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03436466E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.75490441E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26728751E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11906032E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69550891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97497535E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58338900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.58127745E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69507489E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52853406E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39377003E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.51983603E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99481299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03027712E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01246038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87549345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32490335E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.84216941E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80908442E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60535688E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46342341E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41105485E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08908115E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15693724E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79279625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.43003214E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21658138E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.20867863E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19314986E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.60078792E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67967022E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03892264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13745767E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.24355628E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.31170925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67203439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.63749615E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08422557E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15143538E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.99465136E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.46685716E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.90270512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07018463E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.72424370E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.85640434E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.48300936E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28324136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.52959812E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.19161837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47544849E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.28162483E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33232627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.04917430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.83592810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.58608290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.09461720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.70309620E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.37223790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.91989400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "103": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46118500E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45308878E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95722641E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87520939E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77966217E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42117133E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58779556E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.67227633E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84758615E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98893398E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05767307E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77403886E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23503766E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85543510E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08475270E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40926836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81528230E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26983130E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35082685E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13887790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86900339E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87528305E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73787920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04481821E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35554103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67520947E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07473883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14774365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23658820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30619940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22928741E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73313652E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63669374E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.92868090E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91595326E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50108983E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33277685E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.75083995E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40972679E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37418690E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71713254E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45489067E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08952136E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00757560E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38575173E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17619480E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97935606E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13352912E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68536108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.28332583E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.19149544E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88601484E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63001299E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.17250528E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.03339718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67233525E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32012265E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.37055226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96127967E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13028258E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69294323E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88491543E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50262015E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49790924E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11505611E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.24919278E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82988230E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.59311184E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.29324607E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24645731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21248798E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.70133730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.73273497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06871390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15392505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.32770979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34853415E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68263094E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.57558505E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03663064E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12521304E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.87393251E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60875718E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.36774033E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26497998E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06573210E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.33660591E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.74215389E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42681388E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.34314986E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64329387E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71892284E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.53752007E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.91222793E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.66240340E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.98739100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.37724900E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "104": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43339482E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44542257E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92783051E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86157265E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.70303447E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37210606E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55238304E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.40277733E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63810752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82919868E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.38443797E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89935844E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60032647E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40182542E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65258901E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.29205393E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47448016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47817993E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41831865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07167575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79557620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22873222E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36628940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.27030324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75217932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70240318E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40890629E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.57692036E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91452982E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45524295E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73341156E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04757109E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99526789E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95722838E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.69005282E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41496393E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10363015E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56129967E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43974565E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00348062E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.58141004E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14623566E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.26685118E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50735731E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23489428E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27082146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26952714E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74430448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.56520074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.34738584E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98748688E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69639321E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62048229E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32144456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85304913E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43794521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10381214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35122020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36221556E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41655070E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10976844E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56254223E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63375148E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15652514E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.39951042E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89152438E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87053951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.42728436E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31487359E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24875608E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.89908976E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84237544E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13025894E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18906146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.52695937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.45888811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74357819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.84117000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32025608E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31131946E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.77935814E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89294807E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.29735510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.65332558E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25272597E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.30109575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.26958925E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.72120081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.03305849E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.60870045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25608948E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04370725E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.44667814E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54737747E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.30170310E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.73934680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.38568880E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "105": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.40728853E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43844828E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90342084E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85183226E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66081454E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35261228E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54328700E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36212097E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62246752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82506544E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.38636424E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.91029792E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60942888E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40786423E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.68279220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30840883E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48224724E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48260196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31594181E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.06386968E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87192153E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24809527E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37652007E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33514117E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80674381E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75370492E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43394999E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79105391E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06880244E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61264135E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39060019E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33953996E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.05749681E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99668836E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87291743E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49521180E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.45075144E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71148850E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50512143E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29068771E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70896450E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20363093E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52951351E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63028098E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29398936E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56303937E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41839437E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82262318E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.98828665E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58580576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12372824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77459345E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00786175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58330612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00144278E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52268388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.57781843E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58067590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44601802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72195883E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21217882E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65386246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84109970E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21996884E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.62968310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98593198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.29574876E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.63255258E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41969027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30444320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.20599299E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.01486855E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22681972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24474335E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.84932839E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64214160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84917574E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.43541319E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67591123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49585460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.59984349E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15079441E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.13573384E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00221658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42048975E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.16468991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.74351293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98593646E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05561971E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.49316177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.75141357E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30708739E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.68487393E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89553000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.33993180E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.48274720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.16486580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "106": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37015508E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42862476E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86971296E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83902830E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61193141E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33581566E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54060578E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39351117E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67221519E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87233467E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.76219019E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18531173E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80473092E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54650412E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71339680E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05200678E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00985878E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82754267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09697741E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74317711E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08892500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36653796E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44602381E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72908632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98996626E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83102239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49786978E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08993644E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21912852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75867785E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.01715178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61857986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10829795E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03325099E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04902863E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57421454E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.79767014E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86327182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57175754E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58537775E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84051334E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26304767E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.80212072E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75805666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35547342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86725827E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57340510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90389142E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04221598E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82679032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.25925377E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85156754E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05296572E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.83771666E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14538753E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60317400E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.02501365E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79416514E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52212785E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.98676265E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29701555E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75181013E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06305161E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28774806E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.87510627E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08639824E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.74761613E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.85057732E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53101246E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36359541E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.53180605E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19770366E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.32897576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30359054E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.18978824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83600365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96144417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.07961982E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03481958E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67356314E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.37350323E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.35440516E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.79319454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.27478709E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55092014E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.83425739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.10988587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19042230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17318986E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.17742092E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.13531785E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51280755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.67468778E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23435531E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.25213350E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.28037710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.38929850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "107": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36872902E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42811840E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.86605883E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83622803E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59351143E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32474527E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53415223E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35333654E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64576553E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85579856E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.67819741E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.16023880E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81291978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56655260E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91132504E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17373067E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06352626E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84944998E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15732127E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22388752E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40772245E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50374395E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52643219E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.14262214E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23480146E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97264953E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55993640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41166892E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36077369E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88745592E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59103837E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88087935E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.19248649E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07982421E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.25795973E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66478908E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01876890E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03180388E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64512552E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.90788619E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98382479E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32753124E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09688395E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89565197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42137542E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19168594E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73782311E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98974808E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08785039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07955197E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40081892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93170999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09952704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09926887E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29272410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68544740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47433877E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00582341E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59697016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23683478E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37303511E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85077164E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28714110E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35610367E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12222569E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18736181E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02006516E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.06863079E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64205986E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42248407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.85540502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.37891084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43027750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36198606E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.52815906E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02927918E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07405902E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.73219523E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38884727E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84590721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.11874627E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54320043E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.39986411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52566820E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67055722E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.44754123E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.44469073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.37724964E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28056645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.80189342E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.48613058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70216723E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.60118968E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.57443342E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.04397480E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.11364280E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.59778900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "108": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34404034E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42148893E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84236314E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82646808E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.54973182E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30390780E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52365155E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.29582964E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61170428E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83440821E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53399927E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05504650E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73503867E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51305864E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58623155E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03073774E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03275693E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86735548E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15872834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24188595E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44306039E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54061305E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55227309E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.28378505E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37610095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08251825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65086240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96586450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66961764E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02891717E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23119688E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16481022E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25254367E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11942715E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.44649094E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74929720E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05596960E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19509363E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71704905E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22691476E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12658558E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39210383E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.39312205E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03424605E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48783970E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.51912283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90378781E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07648226E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13413182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33621412E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54442354E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01273212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14649093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.36265296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44202126E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76929877E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.92588987E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21545305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66848750E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.46716262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43988343E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95200461E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51596202E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42571806E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37309975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28953107E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06577951E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.28820699E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75368585E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48160007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.17963096E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.56011813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53155044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42033502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.86601159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22250428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18701772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03904030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.74044302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01542124E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.84852668E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72563730E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.98368357E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.76657984E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78511399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.03425808E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.76440471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.55565695E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38304049E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.39676664E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.82067555E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88382132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.50003364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.91587655E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.01747770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.97184500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.84681960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "109": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31891733E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41454656E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81607692E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81482325E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49179108E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27207976E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50514813E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.19293225E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56311483E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81750343E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.50513217E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06938643E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75511549E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52432007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.57460963E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95728059E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98049525E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86955244E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13665743E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03189745E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32026814E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46378911E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51132999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31091146E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37276901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10243454E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73794551E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.58617732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06106018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16423936E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.82542950E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42890695E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31371678E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16000842E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.64074475E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83674676E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09462250E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36556083E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79251953E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.56322211E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27760106E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46054569E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.70716086E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18091886E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55797995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.86369016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07802906E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16730375E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18248595E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60419051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69470017E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09752257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19567527E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.63769920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59773135E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85614162E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.38764899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42851270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74146223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.69512862E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50276988E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05704993E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.75331407E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49765522E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63042634E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39342782E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11186831E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.50778740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86447033E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53990408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.49767856E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.73720336E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63050328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47736622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.19692412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.41220866E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29841360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10438868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.08669045E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18175539E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.56518438E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.90565305E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.55746045E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00277651E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89707715E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.60682211E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.07565016E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72922762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.48262377E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.97370273E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.14555212E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.06116894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.38508567E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.25915495E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.92862770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.85499040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.08829130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "110": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.34187440E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42072304E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83705299E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82243492E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52340844E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28713088E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51343205E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23670133E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58048610E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81916816E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46320177E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01975999E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71165870E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49136587E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35008337E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79088731E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81522009E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69804567E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12397757E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.45352698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71605917E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71017917E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66347701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91337612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.74628855E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28607033E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77399509E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55254319E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89940448E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23289256E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02177679E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64522004E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41883056E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21374996E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.87796938E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93943547E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13901407E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55828469E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87673483E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93446576E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44294075E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53505429E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04779977E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33958813E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63360284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.23321488E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26347505E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26313981E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23309953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88250051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84948328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18416499E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24567385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.91594967E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75520316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94350834E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.84749985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63913310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81244131E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.91092335E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55981532E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15699518E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.97865775E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56614243E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.87723503E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49382207E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15666719E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72228148E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97309783E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59722780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.81064178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91141587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72788205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53345110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.52184020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59893348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40846087E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16939590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42973782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34638491E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.27361831E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.08430866E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01250762E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.23602108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00738788E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01704543E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.38148797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.89971334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.58032416E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.53858639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.46404390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23584171E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02627147E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.60448112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08577830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.77044600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.34069250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "111": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29536080E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40827098E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79330180E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80489940E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.44598289E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25110442E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49660020E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16160894E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55257872E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81434228E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.51727944E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10816105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80378778E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57379766E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.03797861E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25973907E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09463534E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84777005E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18449002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.67022794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85353685E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90026608E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78961671E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07237547E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.24619916E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60249420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97223256E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07695145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60675514E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47111768E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12196733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04188023E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.45323700E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24620699E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.04854786E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02017251E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17589897E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72476024E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95167691E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27269583E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59637998E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60516724E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.37157277E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49152923E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70649966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.59200506E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44491571E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35764320E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28347399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16145081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00570890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27198008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29629681E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19876783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91632414E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03395752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03205937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.85533795E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88474453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12539393E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61387842E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26367516E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.21907228E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63892901E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13760211E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59883605E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20313141E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.94294658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08400849E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65538892E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.12658148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.08667641E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82567944E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58969074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.84722320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78559688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51821970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23428946E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77030831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50949978E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97632043E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.25997699E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06812669E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.46410186E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.11508393E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07208098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.67983865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.06614891E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67582114E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.09196591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.77743980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40878684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11374688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.95235725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19464490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.73225560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.63942360E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "112": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28389212E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40521807E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78180836E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79948430E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41886022E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23823867E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49197681E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.15543894E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56108459E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82523194E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.61243470E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18125511E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85477532E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60672189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26857498E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50415392E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36757664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10314095E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31656549E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20063162E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.00791740E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90296683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78393463E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08011189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23563614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59463200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97855145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07147041E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51185273E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52949835E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15935551E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25697150E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52229832E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28950204E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.25561721E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11409123E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21781106E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.91121742E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03480680E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.64516614E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76433472E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68150313E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72224217E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65513678E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78446385E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.97283543E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63598487E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45630365E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33548904E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.44586477E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16274035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35940387E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34629367E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.47661555E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07452434E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12232559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07791448E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06380962E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95321250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.32264038E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66155757E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36670187E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.45083633E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70890942E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.38733622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.69943034E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24764497E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15471515E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.19072065E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71149871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.43183159E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.25615717E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92047727E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64429163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.16358297E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.96826487E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62632050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29862479E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.10799317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67149237E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06753088E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.44007924E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12499017E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.69679883E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.22451893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12780880E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.98100587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23377361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.77154130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.64214729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.08792571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58030520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20082206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.30218881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30576120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.76734530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.96449580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "113": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27159881E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40170345E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76778279E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79291600E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.38362503E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21609054E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47575178E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03008499E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46355861E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75040258E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04151431E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75155764E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53569280E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37307481E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53407402E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20525560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37971882E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33997226E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83762095E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58141239E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61382130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53690922E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.01634950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03290864E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60471895E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47729786E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64021574E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18793274E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44927938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20374421E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.99229360E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57573476E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.63528874E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75225900E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50983078E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24796520E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64954343E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14928246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09507122E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30970836E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07244246E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11250011E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50664341E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26359688E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53959609E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.46068271E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86375064E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02563592E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.67265709E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11799672E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75607157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.61375858E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18261559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70000696E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35903335E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31026021E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48336714E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85455071E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99758777E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49459133E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.73867961E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79593724E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.69820078E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82465111E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30302626E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.41786842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32315562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78108202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.81035833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46614915E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03734871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71131806E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.54996715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18568536E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74758765E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36393206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.36450687E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.68694583E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.18405462E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40451400E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.92266206E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.32140168E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56372504E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.86342925E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.08510540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16226344E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14209456E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.87910766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.92251539E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35071410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.05357521E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.77051730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "114": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26015314E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39854891E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75565477E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78732629E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35602078E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20184992E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46843637E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99306704E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44598878E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74302720E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.01905638E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75120557E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54265333E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38097138E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.60599474E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.26022245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41897784E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37016296E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02769780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70339850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68880837E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58309151E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.32490334E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22420788E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71780975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54915471E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.10039972E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47906300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60728013E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82641022E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04686148E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61308592E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.82493471E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84237369E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55166858E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44049664E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73790984E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18988128E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28215677E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39630291E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11278479E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30242840E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59749659E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30793737E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.76092928E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57394374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92323957E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05747577E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.84618254E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21365018E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81044858E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.91700346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.35338565E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79434538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41336789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61935067E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60399813E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96204817E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55595335E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57040334E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.90778208E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84637448E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.87553608E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89496189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33359826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.56070468E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39372378E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81741871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00034727E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.57127474E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09586726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74425561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.73473056E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.29280001E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81196786E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40463207E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63145174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86560315E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.86662349E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54209325E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.36181318E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.50212610E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64916395E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.29821377E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.31890173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29136879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21498675E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.29107092E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.15249841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47579818E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.69645516E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.85333690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "115": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24889988E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39543714E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74358069E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78166804E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.32722458E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18633822E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45993048E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.94599762E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42022640E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72910096E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94571063E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71426100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52535697E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37351665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.58243148E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25652182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42332461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37789001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07284289E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73171230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72987594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61036538E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53793956E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37576966E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81508265E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60876272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50489539E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77207800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76056297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.45114508E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.11415673E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65859504E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00556461E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95207538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60272459E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.67645003E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84683742E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24029049E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.51648777E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50587001E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16438916E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54794083E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71605544E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36632600E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.05508081E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72597479E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00386560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10085887E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.08535137E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34604235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88629989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03532548E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60290994E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93876662E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49606870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10349443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87230274E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13586668E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14924363E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65009693E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.08930872E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90177994E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.07387721E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97477279E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36875066E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.72683772E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.47670328E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86061290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02356352E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.69897818E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16742822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78505096E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.96749831E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42827413E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89258948E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45494095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.95747515E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07845519E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10493343E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67532062E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.78563363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67616373E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73125757E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.71530985E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.54292446E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.41497123E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28473613E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.68598503E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37378558E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59718550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.32105148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.86933590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "116": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23782829E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39236248E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73158960E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77602240E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.29846329E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17086776E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45141631E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89804744E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39304996E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71371877E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85940622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66541385E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49715509E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35689957E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49487751E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21010082E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39974251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37103272E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02454373E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69871838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73603846E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61330884E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.56659604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43202011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85690773E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63046845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.70770654E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02632239E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89553537E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02275885E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.18846193E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70887639E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03118856E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07465431E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66011896E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94315573E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97055460E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29776005E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78418008E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63102504E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22321973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82689639E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85020292E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43208994E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38471488E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89540685E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09317097E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14851360E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34628599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48887032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96730471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08150612E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.86527652E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08968066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58217743E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.60788432E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16166945E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27759257E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73994779E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88618616E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.61867039E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06123777E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64191493E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20284932E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46936690E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.20425758E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.71701405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98719159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09269598E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.08408842E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38207846E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90949786E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06964629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84421118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13077416E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58741635E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68994389E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.45463665E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26581305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.80612263E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.20053669E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.84620369E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81129166E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.12133221E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.76074492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53506837E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35248785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.07012125E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.58966038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71638381E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.93496557E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.06775240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "117": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25920449E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39787655E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74867098E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78121512E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31363865E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17401995E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45112450E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88759041E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38327961E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70606893E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80429257E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.62950620E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47664248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34663116E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46247261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21381399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41778720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40569710E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31793185E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93955561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87468979E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70749829E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00522684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72688489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02029726E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73636192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.32921938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38926567E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07779317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.77632229E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.28934205E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76496041E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05792477E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19810247E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71661308E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.20133863E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.08881295E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35218727E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.03617722E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74843203E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27827320E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.08722594E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97492401E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49292818E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.68792029E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05031963E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17433245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19168866E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58178806E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61829562E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04080421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12342402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10370292E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22627225E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66150905E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08020682E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44252638E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41372447E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.31481958E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12045231E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.14672651E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22105255E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21254990E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43227294E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57064533E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68500744E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95885837E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11451384E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16204078E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46979498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59849316E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03515140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14335465E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.26602894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37292288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72336847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.44325586E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83551412E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41794524E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.93563347E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.60999230E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.01369025E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88998406E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.52015467E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.97451126E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.65287068E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41893035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.44719463E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.80207016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83426979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.54241563E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.43336790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "118": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24829947E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39484494E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73684339E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77563958E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28534875E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15892600E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44297065E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84292906E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35890318E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69284482E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.73226428E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58831482E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45180201E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33079064E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36318594E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14574957E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36983112E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37043730E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.03160527E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69580410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78607743E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65135652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.78413265E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63395830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00757843E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70887779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.17009847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54459568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17125866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.20262300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.35325333E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80944775E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08103957E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31021192E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76971547E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45064127E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20544916E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40668494E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29079454E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86757613E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33424951E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35218988E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10186595E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55477667E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99548803E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20694480E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25603267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23495363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81682191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74685165E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11337803E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16445616E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33507489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35723395E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73775679E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.53233524E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71461208E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54480807E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87591573E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37637694E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.72323690E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39530250E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83344108E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68119517E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68017334E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.20333430E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21876374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25102266E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23613283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88142235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83084288E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17005480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22247587E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.71995940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63412468E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87141360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.27211076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.26175850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60438079E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.06489942E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00176725E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.18016911E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.96805885E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.91536067E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.18610418E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.76938856E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.48461775E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.82011240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.01242935E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95144031E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.14623710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89891090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-v4z.1.element.json b/basis_set_exchange/data/dyall/dyall-v4z.1.element.json new file mode 100644 index 00000000..a95b62ee --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-v4z.1.element.json @@ -0,0 +1,600 @@ +{ + "molssi_bse_schema": { + "schema_type": "element", + "schema_version": "0.1" + }, + "name": "dyall-v4z", + "description": "Dyall's valence 4-zeta primitive basis set", + "elements": { + "1": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "2": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "3": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "4": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "5": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "6": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "7": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "8": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "9": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "10": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "11": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "12": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "13": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "14": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "15": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "16": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "17": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "18": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "19": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "20": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "21": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "22": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "23": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "24": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "25": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "26": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "27": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "28": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "29": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "30": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "31": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "32": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "33": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "34": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "35": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "36": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "37": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "38": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "39": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "40": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "41": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "42": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "43": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "44": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "45": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "46": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "47": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "48": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "49": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "50": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "51": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "52": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "53": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "54": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "55": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "56": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "57": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "58": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "59": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "60": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "61": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "62": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "63": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "64": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "65": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "66": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "67": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "68": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "69": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "70": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "71": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "72": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "73": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "74": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "75": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "76": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "77": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "78": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "79": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "80": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "81": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "82": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "83": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "84": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "85": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "86": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "87": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "88": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "89": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "90": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "91": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "92": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "93": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "94": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "95": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "96": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "97": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "98": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "99": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "100": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "101": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "102": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "103": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "104": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "105": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "106": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "107": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "108": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "109": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "110": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "111": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "112": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "113": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "114": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "115": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "116": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "117": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + }, + "118": { + "components": [ + "dyall/dyall-v4z.1.json" + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/data/dyall/dyall-v4z.1.json b/basis_set_exchange/data/dyall/dyall-v4z.1.json new file mode 100644 index 00000000..4b86f6af --- /dev/null +++ b/basis_set_exchange/data/dyall/dyall-v4z.1.json @@ -0,0 +1,158589 @@ +{ + "molssi_bse_schema": { + "schema_type": "component", + "schema_version": "0.1" + }, + "description": "Dyall's valence 4-zeta primitive basis set", + "data_source": "Data from https://zenodo.org/records/7574629", + "elements": { + "1": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.29410792E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20952722E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37359117E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80348626E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21810233E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32951635E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66557370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82099274E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93685011E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31152966E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89277250E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47030934E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92601346E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14026390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70913732E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59764174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06034002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "2": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.62391395E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43456284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25522457E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.19962178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99531480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07885465E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18149637E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69909998E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08089586E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00340814E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27163555E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25523565E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75378224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41950551E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32782104E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16419965E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.68495795E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "3": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02620924E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00216610E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82441496E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93772327E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.34724363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30242831E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02607500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76314466E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64890261E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51150713E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51808159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68069754E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.15050038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91800255E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16708232E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19863265E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68248114E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44097081E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73116489E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97429533E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57540731E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89923834E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75836213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.68205983E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68848934E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16877207E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41143589E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61293523E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26902613E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04114144E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96344231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.17431693E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73685930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.58055556E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.65630176E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.44471203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.34012231E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "4": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81236023E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.05482945E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74441011E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76366176E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50836569E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31555968E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03365963E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30420060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57401677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60416933E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.43414730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53276299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71482427E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32460168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15247113E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18909658E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51071595E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01994549E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27052370E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16307349E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74157405E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81946204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26613377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30144943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53363164E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47698185E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13617123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.28208601E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43754077E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00894161E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.70204672E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95528245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.70483711E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.64789363E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78482656E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21947584E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.41414564E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.77918377E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.44911267E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.02897899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "5": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56072387E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07166186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36847494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.59103521E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12590094E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61584435E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95427652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22051893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30749252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40605463E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12712665E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42574602E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67396455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32316932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54225866E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57775620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18712909E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44384317E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95538684E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60198960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48258236E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52070355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22648436E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.60233816E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32053028E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97221154E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.04348027E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06776999E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97271011E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84044416E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42913684E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.23442122E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.60219107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.69308844E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "6": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26268487E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74102250E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77618328E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03585910E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30323200E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17250655E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51364407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85292100E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.01669725E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62052485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69163336E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12780068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99859083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97704309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48640354E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91971299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78931125E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.08400011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96739252E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94271220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23141066E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.32416976E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38203166E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46735388E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.59318241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97908003E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33893159E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85889413E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71847043E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.27755698E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25243609E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30323947E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.45546349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.84486214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "7": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95972410E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63056820E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60179251E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51628054E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78777893E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68623836E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44956202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63305439E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13351501E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09613531E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37238710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13682901E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58093751E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75561050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19893791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51424479E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50092884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11673224E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16480306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69044493E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10755074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16030141E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73548469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06082734E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.24118820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14302025E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83471522E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.86226308E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.68067932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.53742571E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34244982E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84938429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.12719664E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.36664075E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "8": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82110194E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70802358E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.78252693E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08499989E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53030648E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28475263E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.69158390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53281438E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51560748E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79636443E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15825334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51161224E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41252254E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.65639590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60311717E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35223345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31917485E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46867134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56556652E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28743045E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11855656E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53816912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29534915E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74383290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22777515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46974669E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39427019E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00895329E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84112015E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34475982E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.64969282E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54114713E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.36302879E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.82371624E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "9": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92989578E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07414309E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04991421E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78240051E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.64295029E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00459236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13715020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60226924E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96701021E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79209496E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07524249E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94676696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.53016962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69380633E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06704175E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45688519E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25166909E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86632476E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19437728E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65337612E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27421047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96900393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07164123E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51998340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57165089E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96432022E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01942633E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25472021E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.17582586E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79379981E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15447821E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.38825162E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12227610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.35511778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "10": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23235171E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66705732E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36393713E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58269175E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10534651E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82235448E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44058430E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81026720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47607527E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10399273E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10670602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43548280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19040176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85449618E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58554259E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18045354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28945797E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30669403E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.06824311E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06908062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57907421E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45395500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00674062E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39008145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95593331E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62704459E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71023085E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52357572E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.66783552E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29530804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.83707779E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.42542506E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49301485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.95807958E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "11": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34346485E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04845356E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17887484E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59701263E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85076947E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65471915E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.16653694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46467076E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04252868E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.62206362E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13229121E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01720084E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99001210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50700757E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28253461E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.58105506E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17972129E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54625055E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49671871E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58289717E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66568880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.74378679E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21082437E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64314843E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49370006E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69443651E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76705653E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18596745E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42278785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82238897E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.03267762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67036139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68581545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66755747E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38279701E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83941405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00019127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53783723E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.17159879E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05454779E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.29169375E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20046609E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12370706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84493095E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31560035E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.41887396E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.97038162E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03417288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.35084841E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.30593565E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.12290222E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.81838645E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "12": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35066558E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50833262E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24126686E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39481998E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.27285420E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47844524E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.22210839E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67895560E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55370766E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88160618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17271474E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51308126E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.42309250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72979057E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90942491E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.81284448E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76894306E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38220782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18180608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79289051E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34606523E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93274023E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05880693E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17299767E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48900810E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70660667E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85511108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82134503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.76099376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78550969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23129797E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68310540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65961289E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24316856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.70032114E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50916595E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16027227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53485119E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.29702126E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94843899E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24019006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32664645E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55717309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.39168364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.50872921E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41719937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04087796E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.72043432E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.69353583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.91205128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.64757579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.82366042E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.40931133E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.28876681E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.07048307E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "13": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12228873E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.74446770E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19350635E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10634794E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.44078490E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21498729E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19495547E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76098314E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00755578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.87669181E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08670697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94741042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55290823E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80131604E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45945315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26681170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26736410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18276645E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60837367E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07843666E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26463023E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69727204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13328412E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83113354E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.87876942E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.17737267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51393572E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27759266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81467328E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68656925E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.81729455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69397636E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75418419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.24109385E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37203071E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51203602E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.98916466E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19299553E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66918250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97951281E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.98372237E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19416693E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83361732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.63854018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "14": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85467489E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99085388E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47412421E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85796237E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17474719E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.00328743E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48825536E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93019864E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50076720E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10572281E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09020704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42550033E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18982444E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97979441E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06347112E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58091260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.93367342E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06176718E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07436018E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05670859E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61555303E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34629060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12288527E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26093123E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.65198419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15527414E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50044713E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28186100E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25257635E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31969297E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07793637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13198453E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46543428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18068603E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22196124E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31364388E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96677407E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18722126E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.85578592E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82256465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14328827E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.02312223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88700108E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.46635512E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "15": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52293110E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28322623E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78008817E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69940013E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43632843E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89924934E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82064427E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24780062E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05309768E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34845366E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20028262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95080128E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44593849E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26159230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71991785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92347118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.76504231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01977779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58297034E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32888828E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.06565916E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05022554E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46017284E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.81945679E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.21914685E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44333722E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32619195E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57439586E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.42919808E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83457603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31728648E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.28739455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03857319E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46830159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56336140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94246012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28025978E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.39664614E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.41310495E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.85426344E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56690601E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.55879944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.48317061E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.51482785E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "16": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.16142169E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55349922E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08810652E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55882955E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70641299E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83366896E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16939128E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63388070E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63489325E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60453832E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37477737E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50896037E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71941864E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63670487E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42689156E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29371521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17463048E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05205208E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13304794E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62391529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61686339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80859138E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82473150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50535024E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.03084619E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76773927E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24200590E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89571039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.71319672E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39398360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57657053E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53785266E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66077206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78358081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.09551442E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65346863E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59654049E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.72760698E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21628672E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.99691216E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04556723E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.44032496E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.26935913E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.83982065E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "17": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57549748E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05505721E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34810198E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30984833E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94630345E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66885986E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48343210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89467592E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16919299E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84125613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.46371640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02676431E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97306396E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91320008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08507380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63925821E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35745148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02604762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66650895E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91688614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.18557916E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58016383E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20163264E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02703604E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10603118E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12273861E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.22941754E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23880618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07499825E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98444333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84920905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.84906913E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31333579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11550066E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74287592E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42023614E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93766710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16023011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50473062E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22652869E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56939107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06320846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.24643518E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.38011330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "18": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.85215539E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14581165E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61489322E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13969697E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22576950E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.68069029E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87439431E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14930973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85538873E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14863608E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89287173E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71310150E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31197392E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16265790E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96922305E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10429980E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60841103E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31212016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.34632158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27765183E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10367621E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49392119E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63911657E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22771081E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33252769E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51083167E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29359409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60514279E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05195604E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60777360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13586022E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02227464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99563447E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46219755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14855846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23532082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30132468E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.68872887E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81697309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56227967E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13980610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31490711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.46331140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.01086986E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "19": { + "references": [ + "dyall2009a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13549079E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44783820E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74102681E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11254518E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31996593E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73831411E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08936224E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53987752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96582161E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.82413497E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.09167182E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95290834E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.57195763E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80522934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46322913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28634800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.82901191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66685108E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97172682E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03503073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52191217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96049023E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52677330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.87029581E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97742364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97736337E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.75891610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82402564E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49678036E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11473059E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10653406E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.29525076E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50639829E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90192154E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29542856E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00261635E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13634900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78926839E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72686327E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37197897E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21807594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35814612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35039295E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74571205E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10471140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76562732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52410076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32673865E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66889679E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79319352E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42877973E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38139415E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87798318E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13950837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.70229030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63280260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.52412988E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63333825E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61969149E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.99098690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.42751950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.06891409E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29553834E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.49857020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "20": { + "references": [ + "dyall2009a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04228680E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16345113E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82914701E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81107753E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29268529E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38191278E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65204830E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13021383E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84974996E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61449842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14723826E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05304085E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04058386E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38295107E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83526157E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51710612E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22848822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50766318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.47464024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31922150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18284625E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95343272E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15504707E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13150218E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91667373E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04283911E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12958451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57966129E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36436457E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69852566E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26579828E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99250811E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01201931E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62941937E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.20126371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62087687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19192000E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72247713E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86053748E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46603651E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.64564826E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03210840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10677559E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09079258E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61328900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86357468E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29433694E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32649059E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03511566E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44643293E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.09873647E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70417082E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.56538402E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36206950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63218424E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.17542957E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97600263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.74015401E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.14450020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.99058802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18385168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60298687E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.76716670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.86062450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "21": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04694391E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26845735E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32491991E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01593035E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.12695186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71976789E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10393775E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73026015E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12699122E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94620753E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80111360E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38336815E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21307065E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30543985E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33370352E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78751851E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70331313E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31725155E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91774117E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54885174E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43494627E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.64290702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53694524E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31789957E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84545000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48586730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31924554E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53869419E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77290281E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87205318E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59253008E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47033426E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09369459E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94921871E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.33442949E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07686365E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39242267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66183922E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32249528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70099871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.86934981E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.68053991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44757107E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26696168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50384966E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29768774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47291316E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.08173966E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34872417E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57397767E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02572229E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83869110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37497256E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45777705E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.65777659E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18655042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56324644E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.63867006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67357935E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72864587E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.89625633E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.44155142E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.34575417E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.55104026E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.26351076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35352306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.29698615E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.00363825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.02699687E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.04605908E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.21534746E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.99603610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.63681233E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "22": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08249475E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44527181E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99869767E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25526531E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99949246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06372142E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25038087E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36667905E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40362397E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12070599E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41881953E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69614015E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37230189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13571503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78108239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03065213E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10154897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02390005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29884618E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75369047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.57312795E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28075846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89004489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50824452E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.83930834E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97882926E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50008087E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45476199E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16565237E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03821881E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92874603E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96375850E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22403881E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28977209E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.55831503E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57038782E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60860327E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66997291E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81645608E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95189652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01773635E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37497060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81491583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45721728E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45969867E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75774226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65502456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.84083915E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65281665E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69103875E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68983632E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08664625E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15796147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80747938E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.34825903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03937170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00768518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.96374567E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.86948322E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.32322345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06965398E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.65931893E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.51065624E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.32161344E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16309110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.39061751E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.30487518E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.46946080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.58217530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.73244108E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.68097113E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.38487767E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "23": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11669596E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61849501E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65729493E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49371700E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89221781E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41095052E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39212147E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98346593E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68891755E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25573683E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.06008475E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00899163E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53242046E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.97972822E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23279407E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27822916E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23998805E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79856949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72558276E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97660582E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08034422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96194784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26502365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70050638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.81553117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45277123E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66845223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24353756E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50338278E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18141527E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34546846E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57759385E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.60012792E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68995492E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.95447257E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12359597E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84872238E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78455704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36140542E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22845195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16168170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13679212E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21528320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66249454E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.47453822E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23620880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83531417E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.57015093E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93613595E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79771449E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31234295E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27323709E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.88478350E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13155268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.90143156E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.81622561E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40668223E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20114224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.90063212E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.82663114E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30389930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.66550963E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.41795532E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03925896E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.16860471E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.66078348E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.06646202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.30708872E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.36296677E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.22307180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.14109356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "24": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07994817E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49640006E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23382536E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34324672E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32309928E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18220237E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29641482E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56973330E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50349329E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17028799E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64851040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79850012E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41909835E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34531913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86932007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07005354E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12260399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.14860096E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37962845E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82272135E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00304346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54067579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98874347E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59215248E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.38750984E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32271465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61206536E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.21347401E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10592201E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05790041E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75368550E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16840314E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.91740609E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07526078E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13105675E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66489565E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08497637E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.88547044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90082025E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50247803E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30456256E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89443182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61393655E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86619598E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.47721508E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70622842E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00698997E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.25111502E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19844711E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89580992E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.92934962E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45460331E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.58446074E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44200972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13870540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56074114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78888840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39678264E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88077493E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30135093E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52277720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.59253051E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.26436723E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32623476E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.09799939E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26626142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.64420847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.08681624E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.89935722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.75121341E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.69347549E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "25": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08358536E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57677885E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.68986271E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55628245E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.28607333E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61894043E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49838559E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52691847E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96689701E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39707288E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77570527E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36996946E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71370979E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89311140E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70195160E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52681578E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37593293E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56178296E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16459650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23208023E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22707927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80027209E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72982759E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96843454E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02621243E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19318560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88852392E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00897473E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93281092E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38872488E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35569567E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.03906429E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18151999E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61282357E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31494436E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.38181475E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39176317E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12916857E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58082163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84442093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48096904E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.82073921E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09700552E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11055882E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06613714E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.25178424E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20888831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00408457E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.49136286E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00024396E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63056484E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65863152E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.36332347E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78424450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30109129E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.36815601E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20035402E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60576376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.91783634E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.79743802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74769583E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.52334828E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.12254163E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61661013E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.03844275E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.57031710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.24161701E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.94059985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.46587816E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.18480562E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.02584227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "26": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09543802E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64280244E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.98451059E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68907137E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.90338733E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89899022E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62404418E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08812223E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21705496E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50997933E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30045705E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62491821E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84474910E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.60320753E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09809838E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74968103E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50207128E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28172557E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.57564901E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45679462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35453098E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51976857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12930088E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18198998E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13558431E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71934228E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03196351E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08335386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25424091E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52180323E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.98674721E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.95186813E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37949829E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16651113E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50138179E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09867922E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69549321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26747546E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24619525E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17764989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65271160E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72344143E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56973310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35023188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18271242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78947832E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40230371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07806313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76220091E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09569409E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.33761805E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86315774E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.14257727E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12622652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46334951E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.17582003E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.61150356E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81396818E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.94663568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28694260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96835386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.42899876E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.97594770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90287708E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.95558589E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86396713E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.85699386E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.08568691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.05604862E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.59389083E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.30142031E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "27": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09197104E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69684127E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.36036599E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87096299E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07009700E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23082280E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75972466E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65895577E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46834587E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62607403E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.86530678E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91383136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99814390E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04314919E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54799890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99622799E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63865136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04090624E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99561822E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68639019E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48223526E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22332540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50303747E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37642118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23336227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.19068652E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16146945E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13777978E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49565076E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62930508E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66107891E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93196652E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59217515E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76166541E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70256793E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87650517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02620406E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41811754E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.97011401E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.53982339E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83900888E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69925808E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07693623E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60490016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30521505E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34826532E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60003312E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15228523E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02977843E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18841512E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.06112917E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07202425E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.93763309E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.47474506E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62861892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.99853088E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02973032E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02514731E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.98577656E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.77862774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18853796E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.32502144E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.86729740E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20164704E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.91306950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17067173E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.51557269E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29351188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.70533949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.00829707E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.61744073E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "28": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13133295E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84821113E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94684600E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08653159E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15203336E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.56858271E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90835410E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32295369E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76650765E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76244611E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51192378E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23135321E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15795338E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12575248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98957771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23793780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77116095E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.76266012E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38794371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89134685E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59504975E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84531811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83975704E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55612549E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32636300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.65424637E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33270509E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21209696E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80965648E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76061546E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.50909017E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13761782E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84726900E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.45698898E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93233270E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.74863788E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39200223E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58326146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.75906926E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93291889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04061853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07536737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.62521016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87959990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43682299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94517675E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81163223E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23027553E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30432841E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28110071E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.82426697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29144402E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77117128E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83956652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80150010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.85897895E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46691185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24563246E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10680795E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.28838308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41510581E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02363788E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.80443011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.51508374E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.91667774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49191649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.23943362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.52870080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.46026478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.43477379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.00215821E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "29": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06872119E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66744889E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32084685E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85372185E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05716588E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.15523541E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72125855E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.46651318E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37594158E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58274777E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.65963613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81341193E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94844089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01917036E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43721911E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94505890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61280846E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89318870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.91341383E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68150236E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48861735E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.26190684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44827667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38614399E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25949069E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47062924E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35907386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16236240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61592643E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71414234E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.31646686E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.32844607E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10521881E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16751233E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16769364E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.64219102E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76669950E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75228814E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.56556241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33437593E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24649747E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18301059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.18409401E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15894716E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57034545E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.54853508E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02107106E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30599794E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56750898E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36890801E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.55532041E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50526957E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.59241857E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20116462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97340960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.71565538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.90109836E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46352577E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21320102E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.78744029E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63636175E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11244573E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.77600324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84162367E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.96850736E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.83056920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.03069294E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.79443678E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.33935881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.87565614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.15320412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "30": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07593155E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72212271E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63858453E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02261612E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14351473E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58015421E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92983368E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50176886E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89529499E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84643855E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.01429466E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51577818E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31532927E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21208457E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.45998850E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49483438E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91466131E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05913265E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88244907E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20021039E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77849857E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.90913672E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42648814E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89471392E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51472192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66765942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63572624E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33872831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41048704E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04414989E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.39336047E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08946717E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43910723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.06956198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46129189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74194990E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22354877E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95720571E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.54050737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81922318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49489763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31302824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.86363894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49744915E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73082185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26719830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28392657E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39952619E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88121713E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46876869E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01852954E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96503030E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13204871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.95718763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.33426173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15260581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84568111E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96207967E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47423241E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12946600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29856175E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40880452E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01068672E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.31518803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06702579E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.43432718E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.14128641E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.20146922E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.78654579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.49186354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.38472241E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "31": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96089449E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44831720E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61552488E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65237057E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01712385E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20623898E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84428794E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41297024E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95307377E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90529584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.39666300E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72979768E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42518429E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26480781E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70024560E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60443705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96990836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09120155E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09090649E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35830923E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89034268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07030753E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.00108724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22591019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71590896E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90966451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61458973E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87413182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04125769E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23405667E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59297069E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33812938E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09422688E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41733512E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74137088E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81743374E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.69292056E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50283993E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68571886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46628691E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38118144E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31883166E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24307375E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60221463E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44178031E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75991005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.72010115E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66397680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59088832E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.82556004E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89847306E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18749622E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.44560184E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31308059E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74935081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71362840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34399334E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.85110343E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49998836E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76630535E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78040415E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31414477E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09574474E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.31207616E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.90072500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.04131130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.18122790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "32": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00653301E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58795422E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41614651E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02809507E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18621897E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95354821E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18392771E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00281015E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74371108E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29278607E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12808505E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65111021E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88553310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50131525E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.94974389E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.27963357E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33911242E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29436321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.20898126E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95951913E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22307777E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25502237E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01764419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78397160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02511406E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06110439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48212851E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33515093E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13079414E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30643062E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96655628E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88679730E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25057813E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71960290E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.67928160E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15315228E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.03753985E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.08978721E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95930546E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.81027836E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06808786E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67899686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43622490E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.64995950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99943429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05526181E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02937774E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46925847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01059196E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85077118E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80829013E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38690362E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.00377886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52301112E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.66744668E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.15302506E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56526170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.01195213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12025569E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09917493E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05570626E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.22133441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52826930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03879707E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.08270040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.88572650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.52867340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "33": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00115508E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58411384E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51118879E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13773139E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27769747E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.57671019E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54374901E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18326795E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58488516E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68076037E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31031973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52903974E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32155388E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72529899E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.13798749E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92727302E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69728368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49216984E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.28794948E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53466741E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53952188E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43043651E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.98826495E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33298452E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33589497E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23815991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55919721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88711802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39917947E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56551668E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34152350E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44580797E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43814585E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03056622E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64231339E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49574806E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03974177E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67768089E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23097254E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11341935E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73962472E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02860403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62247284E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65461989E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53759510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34664734E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18965094E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.34791674E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45230350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09406101E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73862323E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60183683E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.60418243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74788637E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64659826E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.62104908E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80125294E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.25291461E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78630940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45993056E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.25268972E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.30122308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13727739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31060278E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.95325010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27299900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.01828780E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "34": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91593101E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62169775E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89176751E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37340512E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40999323E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26665742E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88825184E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35034653E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.37195391E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04676530E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48546827E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.40208285E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76660030E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95394995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03146733E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53049132E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00772447E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65609510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.18101699E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02849306E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82504619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59845844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98132089E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82168403E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.60970398E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39454081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.50176260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35849381E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63814063E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.71081154E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75309494E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05936956E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.73316063E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36574648E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66184434E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85273973E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17994342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27857691E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50591044E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24587055E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.40482645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37325844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80608927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.64781233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07098484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63733412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35088575E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25167048E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.90391995E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30783230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69184458E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92909664E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.50957204E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08581489E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.11604116E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.32554602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15761535E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11367515E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.80495566E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00791395E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53558403E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46980965E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.83603244E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61867736E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.04177410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.78907440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.72879080E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "35": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00415163E+08" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66835159E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16122790E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54871889E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52639226E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.93656921E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21216590E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49349131E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01983430E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35721480E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63924554E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.17116242E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.15362236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15100296E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13360198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07162395E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29979165E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81489395E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00423254E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49563078E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08070264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73917366E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.75798563E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25758346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86830634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54951182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.47947017E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.84705396E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88856063E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93378600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15366937E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65842980E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99991800E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69431072E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65996047E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19973144E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31485999E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85166374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76669702E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37132015E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.03587068E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70147396E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98159804E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05994892E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58469383E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92068966E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50996211E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16822317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36348190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52633693E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.67243501E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07164147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.89926605E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23008156E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.73759806E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61836295E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30405742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18973726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.20836310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23421738E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67913744E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.70266782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59929469E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95251173E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.26946570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.41662860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.57431470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "36": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.80722628E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63969789E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.30612463E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74159549E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67601811E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77127691E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60917773E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67521319E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.84716204E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73282723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81147914E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98468478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.55336554E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35434426E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23954892E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.63242454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60035699E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97765289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09263619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96935037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34963478E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89573982E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06813258E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79511323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19234244E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74262663E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.68140330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46194139E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19473481E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03764968E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67939166E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.44893307E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16639883E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12188221E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.94980123E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64614471E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48758974E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58162901E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09679495E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52857063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.81568824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09922546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18965038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17020768E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.16536132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23295894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68109317E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13485216E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84708060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75633980E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.70292298E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.33030445E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.60368013E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49060085E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08617705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.15265824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57287980E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33084094E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.96609746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64680991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90635777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.99546949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42127221E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30943434E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.61765760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.18637850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.51236770E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "37": { + "references": [ + "dyall2009a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.73958229E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61676114E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16368028E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63865865E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60167190E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35046542E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41375779E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59124566E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49457109E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58708009E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75279641E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.75675702E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46648281E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32036001E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22563274E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57593134E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58035601E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97317822E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09373014E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97614010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35199848E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89225083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06247497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78753508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22568727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79245141E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25002079E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.88806380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59275782E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38239249E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84073663E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68561384E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08730430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11404763E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18459002E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23576209E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33474942E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55679260E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12623300E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10030292E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66370677E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.32930016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43848992E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69471822E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66470920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54749243E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43255355E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30762619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.02822342E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79181379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04445875E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05989893E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42063058E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75166935E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38344281E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.40500561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82981894E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51479598E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.85788837E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61377959E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.37076534E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77322450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20777746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72982528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86337217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48357570E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.78927332E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09748029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15861511E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16453489E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.90598179E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08922669E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78357852E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37758178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13732908E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.19801056E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.96040680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.69831621E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.13594133E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.44558010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "38": { + "references": [ + "dyall2009a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55372301E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56470515E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.95789436E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53612758E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54300054E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.03610613E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25120967E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50916912E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.09560096E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39843202E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66285615E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31383055E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24351505E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20652991E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16548935E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.24148632E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38682170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85963785E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02837368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59664725E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12340456E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74818624E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65172924E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27821659E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92273323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59024547E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67209709E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59933247E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40663492E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.11697936E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07010959E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63090233E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35951434E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86588338E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.30259222E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56698157E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16406523E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30806628E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71628020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89775088E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.30621836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.87584493E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90102122E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.68009307E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06438625E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70484835E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45106614E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79708604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21463384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28964235E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21706460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.37305209E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34638438E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74857191E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99516503E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55755002E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29961397E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15323828E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93562364E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.23516939E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.09066953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34402971E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.37537132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18771441E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65372261E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.70330779E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59365637E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42997343E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33601235E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.46617783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86748937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53901049E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.05239054E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.31750491E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.23414361E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38624800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27202100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.07981880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.13323090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.71360959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "39": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.48880343E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54355230E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.82661415E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43478415E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46818402E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.59179703E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03201372E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41184889E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69031475E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23811123E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60059066E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07208760E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.14623890E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16274453E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14480171E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.15374620E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35645836E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85207151E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02909322E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64579321E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17401891E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79035564E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.97054657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53616050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.10982533E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71557009E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.28897869E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98860963E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63553881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09898413E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65831728E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88494081E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48330882E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71076500E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62632048E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85160803E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90181130E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52936102E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47128917E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18568575E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.50825927E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.41481861E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15689898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09538322E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72026532E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05258438E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63926791E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.88111617E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86595766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70890231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51020794E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.18872852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42116112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35291685E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11203579E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54703962E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73898293E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34107904E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.78413353E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81826222E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.65850063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84704547E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34303151E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.75192723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.53830368E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91209284E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04735920E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.74902586E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14475028E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68071539E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.50346226E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12630425E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94358547E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83555742E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81662103E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45867720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.13780050E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.39158832E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07281768E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.28418158E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.76139400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29799520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.25386864E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.25835205E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.19450700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.36519333E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.88397800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "40": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.39294069E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51328129E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71427083E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37774108E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42040122E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.21592790E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80287718E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29756974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.16722660E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99839210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48753144E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52842236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.88579174E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04213466E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09057128E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90480324E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23294126E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78452022E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89786678E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47883113E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08232732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73172665E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.44195762E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30035571E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98293120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62495294E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94041483E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90905393E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67472714E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23482899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30413099E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24525160E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68005294E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.37184502E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.68396861E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08208731E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.50751472E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71216448E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09315194E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42126199E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04859583E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.85167089E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36397299E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19838245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.25122150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33453295E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79192293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69980454E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29947232E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93182201E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60798608E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62340301E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60807028E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43474679E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16162779E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73036877E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83410529E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39284814E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.15814742E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91725742E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.02671948E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00966036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42232464E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.16275138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.76022175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03561382E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11718870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15155501E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38144371E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82221409E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.36531788E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66008152E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25525852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05205041E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.64519647E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63285940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02399187E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.36807069E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25481121E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.18270400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.46379060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.44824198E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.01300241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.71000800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.46936917E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.15645630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "41": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.17834910E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45520647E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50711756E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30491081E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41404384E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38703773E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95737230E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38064612E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53275238E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15010847E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55181187E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.80782634E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.00604611E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09113132E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10821116E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95534910E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24222045E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78410289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88010847E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.47888627E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08072927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72837742E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41934334E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29584485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97987320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61633465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.78927875E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73724928E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48056494E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20933198E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05408902E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17265366E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70744561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.20053149E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10342579E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37776084E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.28086721E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94339115E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87052910E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71242149E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16824435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.38139705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61266891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32081517E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87545659E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66216071E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96732657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06470485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81394180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21745455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76787396E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.49434243E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07923154E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68393083E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27579823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24111220E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05697444E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48693879E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.51052159E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75735289E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46980817E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78015101E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31667518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63098684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48068136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88072472E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02736565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63503439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07910262E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64555685E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.45857954E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20175745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01929231E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34711011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10301204E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52701315E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.37430649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91072117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.36907100E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60147040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.51410503E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.88657174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.62190600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.24395997E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.08132010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "42": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.97647920E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39995988E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29083825E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19804809E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34508362E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95878766E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74716553E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29413107E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17893660E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99485816E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48125723E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48948161E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.86111974E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02169032E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07331397E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77850191E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15299718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73712520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.58532388E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36880264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03567495E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70966176E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24998043E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23965788E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96583949E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64023573E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86859328E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73375966E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38273606E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21856526E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09518121E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16166758E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65394412E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07327488E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24962998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70175549E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.13240185E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19820339E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72605495E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03199789E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29918096E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.95950304E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88341611E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45392630E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.55470125E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01957346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15954630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17077997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.41327324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57065628E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98079165E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07103262E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.74287895E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02396414E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40226566E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78151377E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27999640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57539602E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.51052159E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75735289E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46980817E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78015101E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31667518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63098684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48068136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88072472E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02736565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.63503439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.07910262E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64555685E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.45857954E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20175745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01929231E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34711011E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10301204E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81106029E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.52515500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33727868E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.79092900E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.76797800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17046736E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.68264253E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.22754800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.19422842E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.73140930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "43": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.96248061E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39064156E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22079709E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15380620E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32025444E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81514358E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66002779E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24868500E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99038202E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92835142E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45775577E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39141597E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81646745E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00350331E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06742079E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76650965E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15395310E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73845692E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55449571E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.36024973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03475748E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71373252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.34476936E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33563567E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03532684E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66325251E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.02083266E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79840149E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29515729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24313575E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26077215E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22834841E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64995440E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02402613E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41065723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06188313E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08554268E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48466517E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.68827920E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39052808E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44545138E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60200974E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18272005E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60026948E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29731709E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40807361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.36752533E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29989204E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29755039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25180366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50580931E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37533845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38313311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82848841E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69682265E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.11250696E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.80728081E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76572426E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.98450029E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38268635E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.67959251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.70580828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74916219E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.81350571E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.63531997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51635024E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38673054E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68862540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.27066941E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.33826012E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24018901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.39237800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.19853010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.53843621E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.95166555E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91277213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.81936146E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.36464188E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.88214000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.97015390E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.35722453E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.35279769E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.45093240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.45784268E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.15261420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "44": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67995959E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29382300E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75456770E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89899329E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17093236E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95936475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18461459E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94937078E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.68030284E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26815862E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12867413E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75447910E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00497951E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60545129E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76429266E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89193671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79562947E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64120558E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00361133E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40557464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07542606E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54969772E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59675967E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89415316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01321649E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54064429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95698644E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07759711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75886478E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.94873639E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14046375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17039851E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37085595E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.83428848E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55294950E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38516943E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.94803460E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74423602E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.55725794E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71274861E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57632983E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.17564463E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45015622E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73137029E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96461003E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.75754209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55409041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39087499E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.71842841E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44632521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63303987E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48086140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.04670229E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.17805734E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86744880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.75225638E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02796064E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83984361E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.70641691E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31173300E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.42640720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59780655E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69695262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.53411826E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47998692E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42571020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33144253E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.36227453E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.07328349E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21509541E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16705037E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.95593892E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93720576E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39001633E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.18087625E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.39042326E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.90437153E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23510964E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07837000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.61790024E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.41752884E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.80584300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.18648429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.95494800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "45": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.65528664E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29015135E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75307298E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90148746E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17384456E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98313075E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20139402E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00564315E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73961199E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29665635E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14204953E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82148220E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03773655E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62031398E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.83118319E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92226094E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81012736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65038138E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01200509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41489690E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.11024043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59155868E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60465660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.95972016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08590376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59962537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96246820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08541693E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81788139E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95298949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17330737E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28113903E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41570950E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07887173E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72049534E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76638327E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96687313E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05158979E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05856934E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09162479E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72872147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.83639928E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75485884E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87933624E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.71315494E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.14855091E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76304220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49693488E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22783493E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64019333E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65254785E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46018892E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.88359197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10990739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81427808E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46996856E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.93033944E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81657233E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.32362702E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46217102E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.93421762E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80144277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78708063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.95182215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.68173642E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52467594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38031774E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.62316562E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20831250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27692242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19134854E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.00744084E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90585746E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34223627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.80303882E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72353261E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02594380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.73889855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24630000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.85263469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.38120578E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.12706900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.36747079E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.55823600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "46": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51812592E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25312129E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.62674848E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85501661E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15534880E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90874551E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17267560E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94069531E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69022637E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27618592E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13377650E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.78544068E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02032095E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61177183E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79174094E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90499196E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80040394E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63940376E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96487026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30808423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06321205E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56797833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57773802E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91160850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08221670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61998698E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97763589E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08906546E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77993974E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78806570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19297678E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37702384E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46424189E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15301095E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85634615E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.07999144E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08063449E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30334336E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14221656E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39871976E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85232935E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37377002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00327119E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.99987929E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03195143E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46198273E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92773111E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59382173E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.86034458E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.12111954E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04772554E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70254077E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.19914931E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74215051E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05181526E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.47558038E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31372377E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95020699E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.24551095E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44336371E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87409461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77945519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.77897492E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.92667875E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67798703E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52679553E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38266702E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.63647435E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21421514E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27993188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19299190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01255077E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90324739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33772176E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77825219E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.86610434E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06563510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.72280095E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24093400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.04666180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.13684776E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.37894930E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.51283301E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.04277640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "47": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48891523E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24801230E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.62438887E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86055954E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15965255E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92939899E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18198792E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.98411680E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70679206E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27890856E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13124763E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75332969E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99877414E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60172857E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.75654182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89165391E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78852819E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62443801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86086937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28069484E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07799824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58644148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60577541E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.87584049E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05999232E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62654553E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99713269E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09599752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77593340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64375865E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19962261E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43939092E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.50202023E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26556837E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06382482E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56349994E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21179486E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70275223E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27626808E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89244671E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05072673E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.23331049E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39936297E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19206288E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12911766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.96947967E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20001156E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73503427E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.58240254E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47117471E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20131958E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79090024E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74489090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.04624400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14257417E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.83290668E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45900405E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00794840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15052764E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00301320E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08201828E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.58361687E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14992839E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07795136E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.64961893E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05863444E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68196766E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.33928624E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.20513639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86083816E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52523078E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.87359839E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92251598E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87141456E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.33940475E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.33094125E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27994082E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.71950493E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.57316830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.35526355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.62426587E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.87475520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.73565663E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.78552200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "48": { + "references": [ + "dyall2007a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20023173E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17441096E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.38458457E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77325105E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12639702E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80055304E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12972215E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.75883209E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60704465E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23605243E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11376057E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.67999973E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96231491E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58052044E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63725283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83889756E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77785149E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63296054E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.85753247E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.18810565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97675034E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52557376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55860220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.72812221E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99805963E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60179992E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01320778E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10757231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83219975E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32796825E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18064947E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73965776E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77203739E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38506049E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29325518E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.10539203E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35914491E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14974331E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42545570E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43782949E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26810004E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01681761E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82736834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39834541E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23259002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50417353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48314679E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88440827E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03743216E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88581814E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38132404E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85942001E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96850609E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13279905E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16102745E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.85419757E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46412681E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01364746E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38458253E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.57970380E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28115651E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.40216858E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52604275E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26564966E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63821936E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.60303345E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99217794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11269890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.25547521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48041742E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88236338E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.88473488E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.02544664E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44708899E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10682149E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.63131702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40791020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.29555127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76518400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.63745469E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.95665443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.31888500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.95264687E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.50882300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "49": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.15588245E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16045574E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33477450E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75473708E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11752317E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75031204E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10031399E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.58683237E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50823159E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18110960E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08447170E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53038708E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88744113E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54276410E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45133951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76109691E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75869671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63645634E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.98331809E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17344602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89196819E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49764133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54309278E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01226513E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35325824E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83725065E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20812109E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23484177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.64108187E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82023340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46951339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.27042078E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51420024E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14285261E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10703479E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39835192E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.12827356E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32812540E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.24543567E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14156932E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28026580E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56784261E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56979056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24621086E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29312238E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28629638E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76154495E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.62510513E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.33583798E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96794314E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63502866E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.11368009E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07673330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75164607E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44337869E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.33302406E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38865368E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48397466E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35997650E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69840652E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62905241E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17442205E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48416435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22726937E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89889986E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44741769E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56912295E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09825860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26442772E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26477037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12674685E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.98695627E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17753145E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16612944E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22156071E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41625730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84820517E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.26727498E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00472350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70975610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.42676730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "50": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96795500E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11119522E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16696365E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69225712E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09392608E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66481899E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07119015E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49506494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48270474E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17399110E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08086310E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49968365E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86206988E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52365581E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30254969E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.63322519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65118336E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57309286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04467316E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13295895E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47433517E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70077218E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58933254E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.77317714E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01995245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.71106157E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27068593E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34243415E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.51652042E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50622525E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85093891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.21194301E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43489075E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.35240669E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.93626260E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66826171E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.00364173E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62508245E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.36979134E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.58154675E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45827428E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.32551995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.90565733E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40227219E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.05148797E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66566945E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95574797E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06434677E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88793257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27612146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80870206E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00907428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63112444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05778465E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60852839E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.22049370E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79623210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74936279E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77264302E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37443498E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81464427E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61331704E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63137076E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82315856E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17168340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58413900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.29945687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.50715619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50183081E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40479225E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96553731E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.49050650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47535735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34007678E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.21422907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95454416E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15733668E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83341652E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.99547860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51527680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.57815540E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "51": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96183736E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11770846E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24859422E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75776115E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14329604E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99844720E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27945882E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07192363E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17368532E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55332333E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28692474E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.62033548E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47390862E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85796473E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01284262E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63772738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21324445E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88100672E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14093315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08796491E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44689041E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77199249E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72432481E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08915047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01556281E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51396529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78364080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60957886E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.89378396E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16431948E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23007258E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11345555E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35543852E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46221985E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01575242E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73713577E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29076973E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74815689E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.81812873E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74972535E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52932859E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.63693278E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05255930E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47582981E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.42560194E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86085028E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05997565E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12083771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.19960605E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45050581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90776728E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06780077E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.98157113E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27450729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73958628E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.00011195E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19048142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98678088E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07208894E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01806964E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02828772E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.13345512E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80825272E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.54321537E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49975947E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74617448E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.14523329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.96621556E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75900582E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55087396E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.80992657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.98159467E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75855835E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50373012E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.18803797E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61537144E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61884581E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08787865E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.50108840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76260620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.82470610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "52": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64921967E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03542260E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98011284E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66692233E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11057307E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87189939E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23301043E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05935164E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17247054E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57889872E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30739978E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74230971E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54575394E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90220278E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03868905E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76133414E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24520201E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86056671E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16255975E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75677524E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02273345E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06791292E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82195171E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10037387E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.72631348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36188584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98886509E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81337912E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01746450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.00002959E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67445531E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33179820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.37403776E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36474997E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00682219E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73666052E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.33201925E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76752445E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89387210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77871882E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53797598E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66109925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05449776E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47228205E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40299262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85482156E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06264274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12714149E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26637153E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50578629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94713640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09734793E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.18387767E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41397530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83771080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.67533600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63236006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22726041E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03408124E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64368215E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26643760E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71896131E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00761489E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.34712110E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86075576E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92186315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00516991E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.45435516E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03152607E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70557763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.70334581E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.50009364E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05625000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67393921E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.17817885E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.31938197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14870464E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31570142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.15526450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09779310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.23230650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "53": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75365422E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06052271E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.04966800E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68476767E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11295770E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85414028E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20826551E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03787647E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02023587E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.49017141E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26462518E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56464598E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47778727E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87838395E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03424435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.81260331E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34671847E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00232310E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33637605E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86420817E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54897239E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37188981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02948805E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25764128E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92589996E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99285613E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04826068E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83146114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05865773E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59420261E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96538666E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50008039E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26099076E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44372215E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03169623E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82766903E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65131734E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87398191E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02689658E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92117613E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59550559E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.90789337E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16803140E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52745737E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.68260494E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00298566E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14421578E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17291115E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.52493038E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65241026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03134259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14805683E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.48843926E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.60113357E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95898028E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04660173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15039002E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50180625E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17406775E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.31584035E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45319443E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.15612266E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15091401E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.91788278E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11843081E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.04852930E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07114742E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.81282220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23298023E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82144132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03853878E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.90439528E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29322752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81477002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00379286E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.05033104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.72516891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55800800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.88274980E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50201210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.73129560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "54": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59319702E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01918471E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.91309608E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63380369E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09275933E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77350472E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17435726E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02200669E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94008883E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44884159E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24332346E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.45528007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42234753E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85153999E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02289931E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77979942E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34913890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01130530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32253635E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80314465E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55872930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39231809E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03080521E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26921523E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.95474085E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99886482E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07079790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88151538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10615171E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82742939E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11565390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59906614E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.84762919E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39431194E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01937765E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77691569E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46774034E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81825550E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00908058E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85988085E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57325284E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81865918E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.12812676E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50844345E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.58874581E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95642406E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12254704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16479160E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50731143E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66003409E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04705152E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16487329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61504258E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68472204E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02720171E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09803359E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56044183E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72967227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29675711E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.93397399E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72820379E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82428024E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37700822E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.82865401E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.52809791E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24862765E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17497255E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.37438987E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54706631E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99927697E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14032726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.48690963E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.62270352E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99926928E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10444484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.77357405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31726720E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80473748E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.65710450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.99535370E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.28683850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "55": { + "references": [ + "dyall2009a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56993653E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01329763E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89490825E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62818427E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09176973E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78066202E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18788502E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03644245E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06504519E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54283605E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30750958E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.87051031E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68664105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01751573E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12364489E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.36761841E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68554501E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21358153E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47666159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.79743498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.11112535E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69439838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20416984E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36050968E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.47558947E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35510643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44998085E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14952350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26264554E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.35447353E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59597528E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01632698E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14255913E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.79936092E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02464378E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72632246E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.55162290E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59845667E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72484823E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00206142E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.88343271E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90482495E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.68756552E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52821479E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02608753E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45271353E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05102520E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.93565201E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01843599E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62227958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40740221E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72421037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.28742650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37858349E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34356420E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.61555768E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26052399E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34967096E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28568380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.71272513E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44562252E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76153140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81000899E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55718128E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35152640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33829068E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29297222E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99798311E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.49098284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60745579E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.07862419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.97551909E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47545482E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29685204E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.05580384E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94211916E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23268877E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28064163E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.34054186E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.14647563E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30931791E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26088236E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.17315850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.62108299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.64734010E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47572050E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.72859538E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.62726953E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.37353060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.63788426E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.26417444E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.37204190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "56": { + "references": [ + "dyall2009a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37388272E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94803054E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56010377E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43108156E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70052389E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05477165E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76574757E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96159014E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70714970E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77608678E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72900250E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39649085E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27436474E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21306588E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68408586E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79284833E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20232947E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30598997E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.55478998E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02855058E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77113332E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14399177E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32899589E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.11487611E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92386061E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86621500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66009593E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.82460306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.31575024E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97097994E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62744353E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28253466E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96451982E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20441521E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21986203E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76392045E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28775538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18716361E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.49360489E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12063562E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50723715E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85188035E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15717007E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99845658E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28785472E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10212147E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54593889E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89299348E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55226694E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.52515843E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76061379E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69877687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55613760E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.00000632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07854833E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80450113E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53992176E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.24328218E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32584646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29937224E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22668999E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.69637262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48021633E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83032925E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.52782065E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41452622E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.45103332E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92184426E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20459007E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.54334768E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75208829E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43921158E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.81527999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.36160528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46941403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41722578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.14661766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.63030042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59880677E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43361915E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.25638725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16190815E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.49088560E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.91892247E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.82214488E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.25376961E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65965840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00671117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.24537575E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.82686890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17713152E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "57": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.38998857E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96337221E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69226432E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52858527E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03669288E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46501664E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00209131E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26181441E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.41086387E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15749900E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08180498E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54969995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90906580E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55667052E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.49798892E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72637459E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66980574E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52062663E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86817927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23988840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11948997E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85595235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14550755E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.01390252E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12738849E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56414745E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56261767E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93692194E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18124443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96051752E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64867359E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86312821E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14856828E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74651440E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44326981E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99140653E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99361983E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40264729E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.21679433E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37257608E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.41080675E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19366673E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29572257E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60107616E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56542966E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23556397E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.20986970E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23315199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73029213E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.47082207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24982096E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93706244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68396031E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.86038858E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.77201935E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27278492E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84266012E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.98818466E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30213175E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.77886313E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38263156E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.77445541E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.47548548E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29364576E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15164161E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50637213E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.28548296E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19339751E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.08358071E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.19170211E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08148438E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08577104E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.87678673E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25061397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.82613230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03591357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84883098E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.24036936E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.77272797E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.36617435E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54881153E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.12725709E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.54659531E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.04169007E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.82810270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.80877920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.93167970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.21761470E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.57755720E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.56054600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.84954380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.30103160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.89164900E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.69562370E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.28899900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "58": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36868185E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95900903E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70068067E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54724043E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05309344E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.57815641E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07368775E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.68976906E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65975834E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30004393E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16185700E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98665538E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.14070504E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67647333E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.10379081E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02540278E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.81331473E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58051043E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.17080263E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.43988557E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30158693E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03434264E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29082642E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.98930370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60448998E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79405101E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66457474E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.65597449E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44724607E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08431279E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70919037E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.59556248E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03406805E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68781766E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42080462E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03451889E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.14331933E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45157889E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38230725E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43089256E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62586138E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27677882E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32933794E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.74489802E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63063987E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26646214E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.36139642E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.31016624E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77108392E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.69600260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37659387E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00047149E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.70964981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.88498625E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73120516E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.25595868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85207285E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03078897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60803363E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05995015E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66232136E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.30267972E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25364729E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18724141E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11596274E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64871185E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.62375551E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30533666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.52790198E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.39008042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17757460E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13502026E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.14004489E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39512170E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90734950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08185308E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.10664823E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38363550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84969963E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.75632902E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.71433689E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19209937E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.78343617E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11833012E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.43946028E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53682830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.57885750E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.14016896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.57090371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.17887529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.31368967E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26695424E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17381242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.88960333E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.81095571E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21082583E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.21566095E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.43139080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.42945410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.79989840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.83737340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.52559460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.31866190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.54283050E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.26586090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.56641920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "59": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34237376E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95070878E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66243340E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52644534E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04073394E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50451921E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03049471E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.44061102E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51254342E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21035072E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10776516E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.67414898E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96818262E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58416059E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.61660344E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76907502E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68183804E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53413922E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.08613195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59691340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56726059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20633200E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37641837E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.29065480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72027772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.77607813E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61214984E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.43364986E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25421374E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04936191E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79044003E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25192739E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93171359E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59420940E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.35606014E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.11413775E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.40107010E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53206883E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65143605E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52656957E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.98505473E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41662066E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38538038E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97753984E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73171696E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31281230E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.58510996E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42217201E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82845797E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99479071E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53278149E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07977502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75112210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00843199E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81367347E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29179925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85636091E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01545002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48045604E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97555707E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61618968E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.17214154E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19914992E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14605102E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08640149E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79003126E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.95860546E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41569058E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.96450214E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.58454304E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27159257E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18315010E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.39707830E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.53599687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98640816E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12637048E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.35436267E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.52011148E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92217780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01185299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.86332688E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24781188E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.97390282E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17392956E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.14879966E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43097544E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.10938223E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.89505833E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43798055E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.41751406E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.84976925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97998213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.95089377E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.80748040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.19380746E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.98445127E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67946441E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.40820940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.75920550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.90536520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.07090540E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.57982810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.16524230E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.51223410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.12586110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.65616830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.40083250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "60": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.32552605E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94762794E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66516819E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.53661350E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05114127E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58321373E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08259965E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.75797810E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.69781660E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31686265E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16972425E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04295803E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19093371E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71844867E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41883992E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24449117E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95897692E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67501422E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.76126955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80264698E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52347848E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17563009E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37856255E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.51600496E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98440108E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99995407E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77350541E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01613756E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80249088E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35593337E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91722193E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.38658659E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.06871809E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67221328E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39508587E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22553650E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78209036E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65695640E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07216275E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67485879E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.53203851E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62783143E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47081593E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33940050E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89224478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38727169E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94507705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.60317157E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92281765E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05031483E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81379441E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23874055E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84432287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06396986E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.13666342E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47823917E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96649594E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08319115E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.87327768E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19442159E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73429214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.60164451E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40832853E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23938536E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12626484E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93791058E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.30877556E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53091903E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04193278E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.78663762E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36905481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23290769E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.66212230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68098093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06760181E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17195981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.60667362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.65796158E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99466133E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04764266E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00722250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29960232E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01400143E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21675825E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.48298833E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54618043E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.60329020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.13510498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56096515E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.07275763E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.20357707E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16881577E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09345695E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.29810629E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.42477882E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.95865961E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.09005970E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.17466210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.04562670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.92587790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.36162650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.46121260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.00968540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.82116300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.89755700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.04447430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.91422800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "61": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.25116734E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92946457E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.61473507E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52562496E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05254340E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.62430770E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12071416E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00344239E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87889951E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42826607E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23459899E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.39985385E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37824658E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81447349E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91112966E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49982960E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09291967E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74582101E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01101170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93971517E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53787453E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18567492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37981826E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58169193E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.97850715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03665383E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82254418E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06338128E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08008948E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48565096E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.95975330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.66329599E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14060283E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69972186E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40836999E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33873907E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02053008E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80063625E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.57293850E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85648505E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02187449E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89785050E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58126619E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81179256E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.10440264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48729236E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43781359E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85511700E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05528804E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12144350E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.20233790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45443859E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96542130E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13345092E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53271876E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68387540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06611424E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12293883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00997960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21981275E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72132480E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.39444299E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27623775E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18164022E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10594813E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08637092E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.65925533E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64579055E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08711888E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.98683830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46534045E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28193813E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.92260020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.82303456E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14696020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21633059E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.85058484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.79029024E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06355057E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08121323E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.13838019E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34453985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02724168E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.24487713E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.80038834E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65525830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.07051927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.36148720E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.67686574E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.68870166E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.53458221E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.34434986E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18413223E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.74583340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.63283700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08238255E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.44977030E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.93735160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.32463160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.08958520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.16389600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60845350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.63025670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.03632340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.93459830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.44271110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.37859210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "62": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05536187E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87603148E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.42256438E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44711702E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01766682E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46524826E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04563799E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.66343093E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.68660508E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32533809E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17875732E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09634716E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21350120E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72538153E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.43431453E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24825070E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96364907E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69076987E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89715104E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91322186E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62699022E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31918993E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48718039E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.23230903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.39610758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23968118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90524125E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06606175E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97310199E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36233828E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88705549E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01254146E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25424265E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75412170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43604621E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.36637174E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04223286E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88708650E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89839363E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98000244E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06997695E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09091668E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66132492E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15643670E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.25914403E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55982846E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79183240E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03423456E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18472255E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21147934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57561055E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51951704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93021852E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07958144E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.19329214E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52142573E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00981206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12379052E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10174933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30377701E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77458165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.53613005E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34448338E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21316161E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12048940E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23579643E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.01017627E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76023877E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13193863E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18471476E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.56029751E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33027914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.17976966E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.96355652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22559921E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26024684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.09060400E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.91964018E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13028847E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11334477E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.26100692E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38474225E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03806204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.26186142E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.10544482E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75974771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.51762863E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.57757637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78743796E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.27538217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.84868686E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.51003933E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26909055E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.16148904E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.82363262E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.16055907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.77008711E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.07127860E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.60112830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.18363810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.54268800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.64647920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.27481170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.26241820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.97858270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.81035040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.80452840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "63": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.04536945E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87528879E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.43286128E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45907747E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02755002E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53295555E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08987292E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94257425E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85778849E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42770950E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23896937E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44527907E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41295977E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83805768E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00640967E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59648351E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.15275422E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77946286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03013588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05807823E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63437435E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33566135E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51616354E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49855296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50783739E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32632050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98310527E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17132679E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.50880725E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62759006E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97536093E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14167354E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60525952E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88642771E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48548334E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46748163E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07847377E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00902630E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.32254014E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13386338E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12804738E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31824460E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75379992E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.54874641E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43337722E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64093020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.18618601E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.23336121E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25240352E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22687963E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.77775824E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77230672E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14419617E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23452175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10093835E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00977614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25343784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23142717E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61400299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54173004E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88096940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96649542E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56286690E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31558825E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16525673E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38773408E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.36884842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87744548E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17791141E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.38810227E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65801461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37993170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.44246146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10604738E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.30476188E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30414502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.32856079E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.04667799E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19509953E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14409299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37522081E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42019200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04645040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.26793481E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.40487047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.86209096E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.95536905E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.78882325E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89550557E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.84813991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.15439118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.67051797E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35078341E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.55724650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00279486E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.23267685E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.06025983E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.13609610E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.86901990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.28127440E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.34114210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.52408660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.38091460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.26252320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.05083250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.10756950E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.15485550E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "64": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.92315982E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84301466E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32340646E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41829105E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01143572E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46835276E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06587244E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.87578144E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85644345E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44249634E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25253764E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53763176E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47104795E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87355408E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02736062E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.71513274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21848881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82064831E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05292556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.16445856E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64882224E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31195027E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50428823E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.68288785E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76688763E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53518591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11497146E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21629687E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.94260763E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93600985E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18819862E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24892422E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32497369E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26864846E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67813888E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57729429E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12679127E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18411949E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.95659119E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36900234E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21817400E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67582504E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90080493E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.17768103E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71454021E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77228306E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82546121E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55643108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42103457E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31729952E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.27502198E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05293617E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30774027E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33577500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.75309156E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39829275E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48592583E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36514367E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40835737E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.99645118E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13185721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00634421E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.03850539E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51417145E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24784606E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.53772963E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.72155032E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99209543E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22263907E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.58478339E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75193370E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42750766E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.69439759E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.24306235E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38108249E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34639066E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.55589688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.16724535E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25600303E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17253939E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.47735370E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.44956463E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05201091E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.26223887E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.44037974E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21828475E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.48497702E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.53985008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.28729579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19804639E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.35729363E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.35147098E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73452365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.66763160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.10707563E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.74962001E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.45340593E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.23566930E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.24876380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.42713530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.99425110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.39818590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.95056770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.45644050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.00971440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.10142760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.52706910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "9.02198450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "65": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.90517361E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83782720E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.30356496E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40983433E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00811470E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45868180E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.06407921E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86816119E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84763647E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43611218E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25007048E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.54012394E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48563431E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89072961E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04279524E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83907145E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31294551E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89050169E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.10425750E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53739040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91851981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46934552E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57577045E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.92590670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86466774E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57135184E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13096632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21748538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.92460774E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92365368E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18978012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15847338E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91066123E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03635995E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55383871E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60304982E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13731035E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22104631E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00887796E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41824340E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23721392E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.75223547E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93243952E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31217218E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.77354529E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79920630E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95386443E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.62011161E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45364832E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33447116E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.36454988E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.09935137E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33395730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34665638E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.75926508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.37996584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45202522E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32665534E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.05515140E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73464734E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96868678E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.31637883E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67582851E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34780595E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17552688E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.68918925E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.07518415E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.10664326E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26726075E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.78102022E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84567162E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47496398E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.94518037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.37907357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45665959E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38807775E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.77870375E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28433732E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31434320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19921016E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.56975931E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47395592E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05523627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.24671803E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.98586582E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.05983842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.79967030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19499231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.10291182E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09440811E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.73586018E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.97329923E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50324867E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.28580045E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.32651337E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35974023E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.55805216E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.28899850E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.41968320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.46645000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.87717310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.38905860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.60432820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.67913920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.01969180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.15891820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.88157910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.62920230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "66": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79156344E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80830628E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20729665E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37633910E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96428607E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.41939164E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05208457E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.83904612E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84553838E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44004054E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25416819E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56796742E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49996422E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89671893E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.04558053E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86046571E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33395956E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91651704E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12674951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73674525E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10669032E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63734333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69204503E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05595498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.24365524E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74291839E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20091324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27628771E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.08442038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94218338E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14205077E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18507119E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.86714187E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01294814E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54914836E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64276508E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16096411E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.31386476E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04405645E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55317361E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29032914E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96717389E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.02184689E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.69586711E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94447278E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87856908E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.33806064E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81351553E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55434830E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38841253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65956444E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26676877E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43432485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41047249E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19294769E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67183831E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65089333E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46617030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.92570590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22748401E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22586055E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03917997E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22833837E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57342760E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25649835E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84394496E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.43723536E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22352098E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31250665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.97874750E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93968352E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52242700E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.19560064E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.51472391E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53188947E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42940139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.99791185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.39857745E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37066033E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22452173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.65506097E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49466436E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05666018E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22317784E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.27472612E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15783292E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.21753216E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.39558189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20522253E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14835650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.02075974E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.12064364E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.57671245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.63207794E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.47733920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41724560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.77621267E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.36919950E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.69687010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.55651340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.71396690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.36157860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.34572420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.95329110E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.23509290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.20837870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.26361080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.86128190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "67": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77667669E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80417457E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.19346871E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37114298E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94389960E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.41111709E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04904478E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.83106717E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84723288E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44471063E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25881040E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60589949E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52891871E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91678466E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05740307E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.91761800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35647914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92348594E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12751772E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.73148076E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.13959016E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65232849E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70805648E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06737497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.33499109E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80623627E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25644549E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30620736E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33550842E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10950932E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25617160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26872794E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23967928E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17633046E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61475504E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74357640E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19970801E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44997447E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.09275640E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73275443E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35876130E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23684928E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13201122E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.16429435E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.15266585E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97533734E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.80667746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.04872569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67597163E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45290707E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.00877809E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45961037E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54562820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47754008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.61048627E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.92323268E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.79859617E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54962570E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.34878107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42810394E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31993431E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08372878E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42933187E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65293734E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28595100E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.99763530E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.79435069E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.33811694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35670492E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.17156124E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03127544E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56867474E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.43984450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.64723434E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60550882E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46981630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21117254E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.50888097E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.42430074E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24798231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72993772E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50994765E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05553998E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.18919638E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.56026239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.25446002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.62906778E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.59277552E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.30565651E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20119357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.29864146E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.26357266E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64745369E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.96231747E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.61921346E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.47022707E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.97247898E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.44860400E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.98053420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.65040200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.55076070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.33409850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.96413000E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.16239010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.36025860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.25783920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.64895580E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "7.06497620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "68": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.71333399E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78727898E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13278949E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34617116E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.83294629E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36222624E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02895613E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.75867439E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82679523E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44218587E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26120100E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.63796016E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55884554E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94184093E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07654205E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05032053E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44044807E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97389226E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15601036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88640453E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22383816E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76252611E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81357452E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14300008E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.79672675E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06093426E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38581602E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38266907E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.69437675E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28487416E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33713436E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24021370E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20252734E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16175868E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61198991E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.80402206E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22811143E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55607848E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13224383E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88180607E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41624213E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.46729655E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22872274E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.58462733E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34145245E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06346286E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02349226E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.26436785E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78759456E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51197897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.32705602E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63017549E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63564996E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52112445E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.77729873E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.96835125E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78887215E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51628103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08246530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26949317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23767636E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03260346E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17905762E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56275708E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25874316E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.14952961E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01525733E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.45400322E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40148846E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.36669695E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12366086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61506529E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.68297732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.77802760E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67759678E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50904579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.41560034E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61280578E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.47341038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26835508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.79009472E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51858403E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05162833E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.14468588E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.84469170E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.35049384E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00376138E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.78825739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40513001E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25344462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.57257076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.40380405E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71637775E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.28093845E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.75412566E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51946816E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.14998987E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.53152010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.27543240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.74793530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.58546840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.34372820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.06317780E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.39462650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.49507450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.29796650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "7.06079340E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "7.26972430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "69": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70268559E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78535711E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13380210E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.35183979E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89706032E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.41674498E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07103651E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00571828E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02647708E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56939731E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33947661E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10351702E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82664788E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09344506E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16403679E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.57966386E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77482060E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18508371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28709286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66657488E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.63660232E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88677194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82286498E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13947624E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74021482E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08820362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45243453E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46840903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22946134E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60876483E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52456488E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19540777E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28761709E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22867634E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64634571E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.88822866E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26201092E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67800810E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17663663E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04973888E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48249634E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73548641E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33932526E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00551778E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.54995394E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15975365E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06976160E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49542067E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.90717975E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57582711E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.67588491E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82294267E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.74294977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57994999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07906447E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11798457E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85751694E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54301864E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19016955E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31025329E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25079425E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04555333E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23793761E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59320950E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27308118E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30228369E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05072905E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.56774243E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44537542E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.55806795E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.21431393E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66061396E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.92180411E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.90650758E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74831324E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54736240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.61348894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.71233636E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51965801E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28680322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84090920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.52279591E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04574086E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09211249E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.12792324E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.44592217E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04431934E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.98203710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50362429E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30507736E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.84225811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.54117108E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78342530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.58791331E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.88223973E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56512512E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.30980258E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.61158640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.55717170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.83926940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.03142790E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.43112230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.12566040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.60686090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.61190130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.35933040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "7.44284520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "7.45324610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "70": { + "references": [ + "gomes2010a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.59734263E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75730416E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03686290E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31486156E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.74980009E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35723420E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04701994E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.96542497E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99833159E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56634846E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34406993E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.15989286E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87535563E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13070575E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18989030E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.74297692E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87242143E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24813973E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33621614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12811580E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.09398029E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22805262E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03946846E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25032437E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28744564E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32100011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.52340515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41752404E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91574003E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.41984989E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43453707E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18784126E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.17391392E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19226839E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64204955E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.91789211E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28380863E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76888450E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21236375E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19038497E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53895281E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.96788855E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43755729E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04821781E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.74162682E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24896525E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11287885E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71147913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01896166E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63528402E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99890036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99948607E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83902754E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62940396E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.29736014E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.20744639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88885412E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55272712E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27489135E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40336463E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33462795E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12690386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60052050E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73229184E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32117925E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45144166E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08521940E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67769543E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48746557E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.74028751E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30013118E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70355941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.14634240E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.02710174E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81464464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58313543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.79574653E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.80219900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55974288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30121566E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.87266128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.51861485E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03644487E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02739367E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.41088057E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54100266E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08466987E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.17449557E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.60131208E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35617366E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.10812219E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67586957E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84867432E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.88346999E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00359296E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60718765E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.45183506E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69299790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.84305730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.93167410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.66918250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.51293630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.20158600E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.89458590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.80805950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.35228250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "7.82630300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "7.65242530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "71": { + "references": [ + "dyall2004a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.58240610E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75274031E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01674725E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30410503E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.68572979E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32074584E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02816657E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.87299130E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95080292E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54106797E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33234759E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.12384377E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87733611E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14384071E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20274329E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.84344333E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94969405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31636937E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38755593E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.44554175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22484320E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43645787E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20415795E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36476689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.93798738E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73244353E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76689840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59019676E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85949012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90505101E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62545571E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43590634E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22453400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72379732E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90911864E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.03530670E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33179260E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.94405088E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27715669E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43639021E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63510537E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.35512016E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59839925E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11727675E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.04936099E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39171512E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18176926E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.05643244E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19732741E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73006946E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.51565436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29172110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01282782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74023426E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00408312E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.67729657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.17890554E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71948078E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.15400541E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82832696E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51856845E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17813906E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78490000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83242422E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38007911E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59464491E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11842850E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78360075E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52801631E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.91594315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38284380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74492341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.36219318E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.14265838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87788329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61691400E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.96465853E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.88322780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59392709E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31155833E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.88639155E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50729124E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02442299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95289346E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.59088469E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.94223289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25623137E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.01328014E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.03853914E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59487315E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.45609087E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.43879578E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27757975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12391550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.23617060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18078013E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.08259551E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.57755720E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.41297140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.42997060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.29027310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.89164900E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.41329870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.28899900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "72": { + "references": [ + "dyall2004a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.47809345E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72387455E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.90491011E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25008893E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36173721E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10749588E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88326839E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91518258E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33765821E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15894817E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09739637E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69128016E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01085242E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62508910E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.95394994E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03983348E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90355038E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76319954E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12705251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18883517E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39231468E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72421836E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65056631E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.79694344E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69264784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27580439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78898180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01760706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.67979390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11903444E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59324148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.07156157E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10779184E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08357474E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.19230290E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40403882E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.21351654E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37737586E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81947646E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78593200E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96407595E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85210241E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22687891E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54127387E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62120707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29276419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61143479E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48338321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88145714E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03397689E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.74666123E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.26124974E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87750408E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07620094E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04306766E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.36610190E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81112325E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.67234667E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.13140394E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69983288E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28013256E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24296454E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02888266E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46073835E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79329752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16328145E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92472058E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58204057E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.14975718E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.49239894E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79913097E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.64155853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.29088237E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.95881231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66084828E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.19428978E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00225446E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65284811E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33960174E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.29085454E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81969971E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20542597E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.83547295E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.86053493E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37090970E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43925960E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.90049941E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.49717598E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83671102E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.71187019E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.01334924E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.45394274E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08768445E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.07579089E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49703590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.49860520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.44370940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.28700547E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.60992645E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.21975600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.28482405E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.97935540E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "73": { + "references": [ + "dyall2004a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46385144E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71916595E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.88214532E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23869723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.31099859E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.08823719E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87647550E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.88730822E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32192700E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14669285E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08634210E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59608167E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93735610E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57266245E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58892974E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78700858E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75744481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69644659E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12619616E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.23711811E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.23258981E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.65784338E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62117991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.74288796E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69276856E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29667556E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91103368E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12477953E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.36222297E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62301733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66672325E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.67249502E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43398765E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24035067E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.24198487E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42853500E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31271182E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41630092E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.97328186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84880539E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23019947E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96640239E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27643852E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76082521E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72231461E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34165997E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.85970856E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61453081E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95273960E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07353356E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.97242734E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39134522E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.95292677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12013657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.29264213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51302307E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90272035E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02035646E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42902096E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84977375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34193668E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50965584E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16364891E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52903935E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.04097355E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22218895E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11633386E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65598548E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.47180486E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64595958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87729409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00594304E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52136661E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.08857660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73431087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.60733626E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.23559956E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78559585E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41349213E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.79755650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12990645E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37174441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.62470701E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08692115E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.70925027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.58358121E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.59840923E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.86126124E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03372624E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08120567E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.62620014E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.78973557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26379058E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.91405599E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84086491E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.89610290E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.65976290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.80763241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.20686438E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.04856900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.40580214E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.42152260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "74": { + "references": [ + "dyall2004a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41372745E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70676239E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84546864E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22740488E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.27359438E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.07264037E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86767317E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.82681628E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28122025E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12317815E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07506464E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55006857E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92012927E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56557310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.54939856E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75289223E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68978522E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58942199E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02971268E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.22766505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49945109E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84325700E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73749870E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03301075E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.09437248E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55925540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99918320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13334515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32945379E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48000102E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87397350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.54574252E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84357289E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42804035E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.36094395E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48550092E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53588143E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50330664E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.31806678E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98791315E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80229694E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20804960E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38191825E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23715198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94450834E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44864168E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.39150629E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88724659E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09666977E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15188986E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.40547159E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.63032231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08852715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19652423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.71375076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75569321E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04595084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10245970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.86443306E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06579908E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44142573E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.95323016E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35333840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60492793E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39800429E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30823775E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.39464363E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.76270432E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.93400108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86547755E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98863476E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06528812E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84792814E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.27170244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83830156E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01996550E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.57171057E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97842224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.52348741E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.44648139E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48699293E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55118230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.43635589E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17940585E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.01800933E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71509473E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.23259468E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19197084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21283215E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18143991E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.18853456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.10192825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43032657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.71994826E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17567918E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.27556430E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.86903850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.12478072E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.78962199E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.27680310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.49610921E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.86251730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "75": { + "references": [ + "dyall2004a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.36028633E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.69211166E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.79327757E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20737476E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.20435100E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05824118E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87351426E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.93106918E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.37354538E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18809597E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11506835E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77793793E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04619328E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63713392E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98616139E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04532193E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91618915E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76953239E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13500017E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36620560E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.53947054E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.85766052E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75707275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05101493E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.29680708E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72339577E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12304797E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22985635E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02834389E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.95258204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17361976E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08733440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42192519E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67534923E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.41608341E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51650488E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.66703689E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55673075E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.53393319E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07656365E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.17799481E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37127418E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45426248E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56633903E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09936984E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52415919E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77307182E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.08612842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.20290354E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21001493E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.72941507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81465845E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19739060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26146579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.08485729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.96333850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14367013E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15270703E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09972800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16651397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48380126E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10460759E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.41791145E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63550016E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.67987485E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37097742E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59177346E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83826808E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.26235074E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02044098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06608074E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10587964E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.06958938E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.39771620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91156011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06284268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.82476449E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12815585E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60956285E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.95620267E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77174881E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69925644E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.13823879E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26645950E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.30750569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83817495E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.82477403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.50048506E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38007411E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27521957E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.71793682E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.39925180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59124925E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.51106107E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50791806E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.65995110E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.07666900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.26591377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.37831711E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.51429430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.57890715E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.31298180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "76": { + "references": [ + "dyall2004a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.27221999E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66918880E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72028139E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18342021E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.12792117E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03641184E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87019000E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94551068E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38721066E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19182328E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11269124E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73701674E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01018953E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61221528E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84025233E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.97706971E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93011588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80415734E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15357738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.43265447E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.81778922E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03255045E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86035003E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09877735E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.56572971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.89953178E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44984519E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30878036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.40867357E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17178130E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15456465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08932993E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46445718E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70881936E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.47024335E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55228728E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82071374E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61938280E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78839793E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.18115205E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.61533413E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55822037E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53629973E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93716264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27286781E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60842588E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19755048E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30712374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32132520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27531059E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09979172E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.02761184E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32410972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33734912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53268971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.24122122E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33040187E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26404455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.73081100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50163385E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62500690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.71098627E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65801683E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72360098E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.10242833E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46926789E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.90513356E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95790443E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77879164E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.26431108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.18872062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17055316E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.42192924E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59379388E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02250844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12610713E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.18544867E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.33714042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73046948E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.63411397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12974288E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87542667E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.92561923E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.35104342E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.58767055E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95701547E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.39517199E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.79708637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54080586E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36539352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.22901991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.68872492E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.74958291E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.29919873E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84174741E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10635820E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.28520820E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.40679822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.98556465E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.76683870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.06674087E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.78043260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "77": { + "references": [ + "dyall2004a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.26324567E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66683769E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.70970969E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17734405E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09232390E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01717475E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86246452E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94300936E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.42430397E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24226154E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16155634E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13922679E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30775905E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81655419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01771939E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82774569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42589179E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08435403E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28971512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.91277281E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61308928E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89620756E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84193836E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23195095E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26388789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25954637E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31315045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38631942E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.06184291E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66607005E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24109504E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16296220E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.87342643E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90020584E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.60878134E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61538923E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06771092E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71643431E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.17777869E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34059553E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.28003447E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84183296E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66143717E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.50847642E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.54133412E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73826058E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.84520694E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64035134E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49746302E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37100676E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.63264364E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32857641E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50170900E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44179023E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.12489271E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59044682E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53894005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38832173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43806471E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88242182E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77307459E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31780465E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.88964320E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80726598E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46118937E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55205596E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.16732275E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05743489E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.20671223E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46581658E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29002690E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22411109E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.71542035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75891436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11692410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18042585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.50058337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.52305319E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83944376E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.24892165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45735151E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03904087E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.67050347E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43371089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.86065441E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.07263528E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.94967757E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.08543122E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.69732644E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.45335419E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.72925038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.97383438E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90676971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.09003268E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.17906800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24925000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.49565040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.54836379E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.61895199E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.03909580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.17632329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.26883150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "78": { + "references": [ + "dyall2004a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23780991E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66101170E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69657852E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17560236E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09700186E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02379219E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86860485E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98367864E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.44127471E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24417803E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15809653E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.10199490E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28110684E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79879434E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00553543E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73943870E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35558927E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03441597E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26916346E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.93599935E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78037111E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97800051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82718019E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12496267E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95014290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.29354941E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56031568E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50060613E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.52083862E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65934749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28350455E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14291920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73908361E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86374375E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68475118E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65556990E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.23595720E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78396405E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44821160E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45142111E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.74756010E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04321956E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74914029E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89919404E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72285116E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.82610784E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.28401321E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86587287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61662685E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43583570E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99058471E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.52340492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61019088E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50335031E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46913428E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78451346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64002033E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43799995E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.66201942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.97343035E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81310349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46979423E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.95778151E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83812888E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.87829029E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64862299E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.47337733E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17369284E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.70621535E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.70040554E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40735433E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28568499E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.05027244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.94584677E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22332444E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24157851E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.85338484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.72968164E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95978613E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.91592559E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.80676651E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.21093312E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.44133195E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51528666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.12934398E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.18629243E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04943932E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.36856800E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.85118211E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53994937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.22346785E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.25721035E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.06404203E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.88825356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52154887E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39524670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.70940250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69216767E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.29269249E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.34007410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.28755725E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.78806100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "79": { + "references": [ + "dyall2004a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20910315E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65310196E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.66662267E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16256884E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.04288317E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.00471076E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86130196E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.94010272E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.41168672E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22578678E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14666921E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02327271E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22502302E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76235066E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.86388945E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69800040E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47439123E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18594432E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37253267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.48620636E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.20683077E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29620450E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05642268E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23541844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56412170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.57399250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.73964897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54586970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59898841E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.58261513E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43087444E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21525733E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08933079E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01852957E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75534848E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69124856E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37780684E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83968730E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.67012592E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.54151575E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01221988E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20347350E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81966463E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.21744870E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.87039155E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89715089E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.64237207E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.05420647E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71861289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49244771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31404628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71314825E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72291155E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.56759018E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.82986883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.99104006E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75797960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50215220E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.00999703E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16158973E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88571055E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.75551178E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.06338978E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.87552747E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.30851950E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74834650E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.79121925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29550786E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02343767E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.95064363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.53367053E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35256912E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.41664376E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15100111E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34029736E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30901241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.24363075E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95914719E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09371900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06558558E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.19289443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39938364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02711578E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.59845287E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.40236705E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.30150329E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10448257E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.65359194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.00551195E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62652422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.71693770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.54074873E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.22208092E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.69655156E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.87002646E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54458060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.92701880E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.83876516E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.02107371E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.68090110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.40044975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.34742620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "80": { + "references": [ + "dyall2004a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12672810E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63104578E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58888816E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13220619E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91576913E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94709159E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83403429E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.81695052E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36078259E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20557049E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13787944E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.97929745E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20390326E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75583349E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.87771001E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72914904E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45983627E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17661124E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.38150167E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.60976047E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.17642828E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27058931E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05006734E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28231540E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.94453938E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84298883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.82567595E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64823182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.33379270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.14392666E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72750013E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36139890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.70072469E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.25310648E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.77648167E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71497444E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.49387110E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89096220E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.89054219E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63613074E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05322443E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38376896E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90028453E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.58546381E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.04292940E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98058712E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00587099E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.26819007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83167411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55388868E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65092619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89106075E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81439876E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61219915E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.07431384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.14216020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85426268E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55398566E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26791395E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27275305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93685375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95217230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.14865006E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91251986E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.70427008E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83952175E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.07648139E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.40175788E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06821536E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.15735362E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63556530E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40542860E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.70184897E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31006183E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43066231E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36062067E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.54288783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.13594247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.19819426E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12352900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.49787443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.55187128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09750380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.78411369E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.01177648E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.56022619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22881251E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.31199508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37344738E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84824523E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01483684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.53250722E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38191958E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05183783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.22555170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.69753240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.15045690E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.99056248E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.83253203E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.08197090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.51566351E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.96388350E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "81": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.08317392E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61959166E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55037393E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11756903E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85467326E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.92058604E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82305138E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.77620999E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.34785315E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20245614E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13803407E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98934423E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.21408009E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76558875E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00041468E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92250228E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.75625842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38838929E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50798681E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.39234664E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64493482E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.53503788E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17395792E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34404778E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30103217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08713322E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95482347E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70648845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.63840443E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.41182154E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99435729E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.57107513E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.93730699E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80210667E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15248188E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44027116E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63861053E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23254424E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26461019E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.14050137E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16087264E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.37180882E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19075911E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93342449E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.21124918E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53235797E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30024376E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20160416E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44177221E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.53191800E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97402907E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11586230E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.33259168E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66558425E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11668615E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20234311E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.85494228E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.86846732E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13766076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14047523E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85342232E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66929975E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19941873E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30750579E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32345763E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33382249E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.14858642E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02145799E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.96204457E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73370770E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.27334951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.20225805E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23348598E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22883081E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.91065721E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95818357E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27419197E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29102701E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.29900666E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.08902776E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23435634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18977792E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.38315155E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.67838812E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97031244E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.46000123E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.35358702E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.86621332E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.34716156E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60491225E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.29421286E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.46324615E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47514941E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38528611E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.73143104E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.26020945E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.26950764E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12754633E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.34585170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84851434E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.71719257E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "82": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03920992E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60745089E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50560701E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09916723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.77129438E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87785537E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79897043E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.64376436E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.28277909E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17378222E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12556188E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93460787E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19483673E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76553704E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00944437E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02343126E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.77158135E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39375377E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50914233E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.33306502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51284790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44322020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13338228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33520758E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.66289355E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38222437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99415411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87779630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14812985E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05688205E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82986806E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.02009700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00757759E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76195404E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.36179420E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57385946E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27215669E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51651434E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38991546E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69167353E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40582831E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04783130E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69525107E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16748139E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.03300162E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.08426049E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.58100535E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34861189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22977303E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.96091080E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21115343E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24885742E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09098696E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.10045433E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37014093E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.35190917E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.72037399E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.38640900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43723532E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.30981319E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.79468534E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16722126E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47172940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66059717E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.94523129E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47942422E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48210727E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12655416E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.36032112E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90442930E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.06947114E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.59753456E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43838189E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33891512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.51614919E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.29820864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46927739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.40562657E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96399991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47266844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.45146086E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29817645E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.64854429E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02082119E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14895975E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.54398069E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09185623E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.01386845E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98309666E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43055149E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.36521457E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.94695785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.17364859E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20272063E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.62387444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.57433130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.83923557E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.42424682E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.12384386E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51904517E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.72401449E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "83": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03279728E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60594003E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50023107E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09659438E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76143654E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87757098E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80294416E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.68441494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30762118E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18429093E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12934090E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95072040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20148524E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76415906E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00160154E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.95642414E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96720913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.58455735E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60682868E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.84446368E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01460101E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.79343442E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39126451E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52760043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.20872979E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55740309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20235441E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91807846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17319772E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.44630190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71155204E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39027432E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18864596E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60259186E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.25482293E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51279614E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.99433630E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39784722E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34061524E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.48671180E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31656758E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00691425E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.50505364E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07848216E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.90002640E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.86642104E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46558862E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28558344E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.87901309E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76206018E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09508372E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17949694E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66892149E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.84609275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21095148E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24827310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10832128E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.00037196E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22846634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21256201E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.43653019E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.14886756E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51587169E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16078605E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29139770E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64639539E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86670798E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24589026E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.79811197E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08586225E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.89743601E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00615172E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65206540E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45619569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.18294249E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.68616244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.70061415E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54602704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.80349429E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.98217352E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.76443173E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.49348569E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.02887499E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.47148940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46379012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00171907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.59714224E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.64921518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67445405E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76033232E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.09822722E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.89976220E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.72075403E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52620972E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.54854988E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.73159461E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.53363981E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26389863E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.47623445E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75081190E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.80941530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "84": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04328296E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60878604E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51104078E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10210157E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.80329257E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91215357E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83148210E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.90430630E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47126112E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30328519E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21383059E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52683277E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.57601432E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99746223E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.14186935E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.69879961E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98537556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43269855E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52179619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.70210495E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.28565464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91406006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.39584593E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44913673E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.99319907E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61426467E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49544470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17739099E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39471720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.63080241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94222392E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61057660E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32024835E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.27723529E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.23716897E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49958826E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.91977297E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35950468E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32435645E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43008453E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29715439E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.98523381E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46402852E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.05702902E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.78360770E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81001475E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44518465E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28266698E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.91437607E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81515268E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14893627E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22679379E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.05253391E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12721577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40705992E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37916628E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.97328043E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56696330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55222864E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39354574E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40356778E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65339944E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75549207E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28366001E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82593378E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80336900E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22511021E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35633203E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.20206304E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25293395E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06543755E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37408365E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84078958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55763068E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.74759532E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.00671952E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.88587114E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65398832E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.42388617E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.34235897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97421678E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61452746E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.77324890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.06980661E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90486308E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19140848E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.77665712E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.22560061E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.91651729E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.87520688E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.69525563E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.22731107E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.90760873E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.63559770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.19392819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.11237947E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.75460404E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38654510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.93276104E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98196926E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.04617644E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "85": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03754266E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.60756732E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50756454E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10041425E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79170008E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.90456184E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82735521E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.88381781E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.46161058E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29792522E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20951378E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49079727E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55248237E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98455894E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13237310E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.60172665E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.93925893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40215313E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49006518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.40009193E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.96998212E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.76960781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.33865293E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52849989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.40280959E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.92922327E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87060095E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21779535E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34057291E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.43093309E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.65310412E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93184753E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48233685E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.05065044E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22514073E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49328542E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89373757E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34540998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.31404445E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.36081323E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.26034744E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.82867088E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40526138E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03556174E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.70312327E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77583752E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42669003E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27105258E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.84079236E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76931664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.11949012E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20757492E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93043835E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.05244136E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35983675E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34978352E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80762081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46674348E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.52117161E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39932798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.59663105E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.90177578E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93158649E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.32294020E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34091545E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90349494E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45722599E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42827574E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46622390E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36209248E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11502975E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.61830047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.96828161E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62690283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.13512832E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.22990118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.01862670E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73527665E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.92561226E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.65332164E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16600816E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73092873E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.51050663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71596180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37613991E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38924678E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.98321112E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88346447E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.19004513E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00480093E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03658327E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.59179133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.11278761E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.75423084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.88637366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.51843951E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.99043819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51897674E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.47768462E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.31051189E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.39718732E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "86": { + "references": [ + "dyall2006a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84934165E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55727982E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33333278E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03305171E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50878878E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78018860E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77104887E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62907577E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35084604E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25359087E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19399016E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44611091E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.54405149E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.98693863E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13855932E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67235242E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98905662E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42176482E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48676183E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.29569389E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.01235807E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.99157956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59355031E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61594539E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02237996E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.34497875E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83634273E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36047288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51919804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.79563636E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55280780E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02733349E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56487403E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.54954093E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.09240457E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46936254E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.86720524E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.35477829E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32396748E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42092331E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29295561E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.99199500E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.48036474E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06909770E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.85614099E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84751958E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46120100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28839840E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93309266E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82182386E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.15113062E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22774645E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.07023034E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.15260238E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.43122062E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39823737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.14689657E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.69761160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66798036E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49531338E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.19507828E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.27930628E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14215694E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.04280197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87911534E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01991605E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.72386419E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51266655E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.78445447E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49739625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17779568E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.92974342E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13099639E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71566635E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.63621636E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.51936974E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18980829E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83803620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05361722E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01789626E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38275010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85761810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02859548E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.46214376E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.89531825E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.60155240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.19499697E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05625936E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.47320067E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13869326E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10574209E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.96871492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.32577946E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.87797546E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06118338E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.94541468E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23924781E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65912723E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.05049919E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.71497957E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.80566833E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "87": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.84371051E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55579549E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32804397E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.03091859E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50374715E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78346398E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77878242E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.71715150E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.43144338E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31937946E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24426665E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80445190E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78334722E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14099476E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24157665E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48288736E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74581374E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01821968E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88385030E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16651426E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.27817685E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59110080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86915853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78061408E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06375341E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.41350169E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81882595E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20757227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27918777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.10988809E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.81255367E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99335420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36807871E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64346524E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.93503774E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80372852E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03189773E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22147330E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55079174E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.26438440E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.53690582E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40633248E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.79331856E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46076546E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07624065E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84746946E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24894912E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07494095E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29710662E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69154441E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40902363E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.58236274E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18117168E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35483755E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34426216E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.73036219E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53285594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65146153E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53257454E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96446508E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.20832153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96110393E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66122030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.10335099E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81569142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50864374E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32930773E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.27408686E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62763803E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94357307E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06374849E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.84105995E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79786056E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.54421545E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08970031E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.91486282E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38806410E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58918637E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.98166481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.21572630E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31522688E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30987202E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56950813E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.45716053E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63739717E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.54682097E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.10892022E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.32796809E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.06217039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72483547E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.44442640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.10584553E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.17398439E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.21833016E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59769998E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.34078214E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.10226551E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.66855413E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23464869E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.15729150E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.26185896E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.49925762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98336061E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.12580788E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.34305699E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.48321822E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.80666069E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.89910254E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.22402675E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.43923356E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.57575128E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.51580070E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "88": { + "references": [ + "dyallXXXXa", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80637454E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54565391E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.29025534E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01398728E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.41000586E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.72227002E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73398013E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.38432731E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.18930089E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15030901E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13167503E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.10126100E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38022357E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93752549E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16223063E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.40413801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.89271964E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09255096E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.90334119E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16206957E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95240013E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40167821E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.78644802E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78880794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12166955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.92917128E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12676255E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.41587287E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41536909E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45176626E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75433310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.68840517E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44084048E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84189642E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.48703242E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.42385115E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29575073E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31827787E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.60897690E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.52973280E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66006441E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46357061E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.06134752E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59031281E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13994974E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15889275E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.40030618E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14898220E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66416364E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87641684E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50369857E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07490645E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.44133487E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49507777E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42139656E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.16491585E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78111968E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78911707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59908919E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.27672688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.34249846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04270430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71987994E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.54053376E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.06049878E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67964283E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42812749E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.24735719E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70583929E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91076485E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.85825613E-03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63637719E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.44716749E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67602081E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00843141E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28453851E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98976819E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.89671892E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.18688564E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.83004111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59408391E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.16976006E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.36923361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.15999778E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84906374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08273662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.32060758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.64577233E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05532075E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13212790E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.08442864E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.64445375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.84867005E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.23362843E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67450726E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.20816203E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.10267058E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.43590380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.25894179E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.80369927E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.79815519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15428241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.22496912E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.92413494E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.82010169E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.99469002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.76106847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.71576329E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03726185E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.34349907E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.08871430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.21315834E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "89": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.80202742E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54464592E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28761127E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01371899E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.42188307E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74055043E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75473091E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58233927E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.36234795E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28913466E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23458536E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.80679151E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.83149075E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20364944E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29574793E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77677624E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77300176E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98428049E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93422674E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26166159E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.82752542E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94728250E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.04247877E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84454414E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13133537E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95616588E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.30320889E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55760861E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55319182E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.46705394E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37078420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05913530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68320789E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05982054E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.40771912E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.86954082E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51170037E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.36145030E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64143714E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.68598246E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72139029E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48658349E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.15271843E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62707875E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15439132E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21545648E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42416267E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16112578E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.73784206E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92396213E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53393343E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26293088E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.55974342E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57363771E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47689584E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.57906880E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.09138577E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02362552E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77799667E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05330298E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.20047439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57509551E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.04810085E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15896910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.43984762E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.50646217E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89227372E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.59659756E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.77352098E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34466199E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14627566E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.98250918E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14879827E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.61822482E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35029116E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.68440420E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.61235542E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28362473E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.64760453E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.58359085E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99522492E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13584187E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.57797989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.84732781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24776514E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30216060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.53172868E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30013755E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39580070E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31216782E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.93027968E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.34512627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.55270296E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.90390383E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92306482E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.30786201E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09156676E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.61380888E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.20367540E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13763249E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.13094419E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.41069620E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91927299E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08124309E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.02143994E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.24753991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.61242614E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.67144650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.73082150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50442450E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.97408018E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.58390840E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.34557120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.30652890E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.11090300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.77918020E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.66219340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.16396320E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "90": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73724723E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52748573E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22872178E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99114606E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32943058E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70243589E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.74012709E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.53510330E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35223581E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.28975647E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23651312E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.81239495E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.82169755E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.18765131E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28451540E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75145563E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.77944108E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01081039E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94724811E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25764008E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.95669052E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.94922388E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02157792E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82174185E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13302435E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02645064E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.31793783E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57034756E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53360871E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.25765905E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32736964E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.07322994E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72630009E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11785467E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.20522318E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32558674E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73630524E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.29742320E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62224254E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.63963685E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71801387E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49147864E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.19584117E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.65382541E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16949328E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29679270E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46470849E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17932939E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.81121957E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95205152E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54598581E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.32716161E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59795391E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59642228E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49058230E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66446599E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.14499710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05559916E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79808887E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07140428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.34493733E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69133896E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13493176E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21735768E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.76095705E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69040410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98168145E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.86233748E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94992351E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45238114E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20481630E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39455866E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24815967E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90671508E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44904667E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.06469132E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.77547140E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36034687E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.03084633E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78178217E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.10089951E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19443615E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.91673710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.05265739E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37542937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38126947E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.03611544E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.62685191E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59690521E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43469157E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.66579414E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.78374682E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80238109E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21043655E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54288527E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.94951627E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.53212531E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.76578801E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32216753E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.73229217E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.57487196E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.92825954E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.04209100E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.54947315E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.85462934E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36162382E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.09628582E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.52838789E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.13210536E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.04047100E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.97082170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.94839610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.09472840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.62200630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.25405870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.21406810E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.35510090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.71754750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.09950300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.77580970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.32767400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.35140460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.62728590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "91": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.76158725E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53376612E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24781875E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99659729E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.33932674E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69703802E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72969669E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.42486966E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25391798E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21195848E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18273059E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.50202634E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68603205E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15788556E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29608721E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.87315982E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78704804E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96304473E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87576025E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20138024E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30618039E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76550579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05573643E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91087678E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19218209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31977513E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47952407E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69239292E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64134671E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01978973E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.03206741E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56344810E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04928560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23714601E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.32955808E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.28544757E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68552588E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.94733578E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01695102E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15365272E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60098496E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90178117E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.10996806E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55348739E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59723559E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.35596377E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.46912256E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67554409E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29096162E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.20745001E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19330201E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17490990E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.45420979E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62800388E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07772109E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20530900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.07310575E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18718417E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45770072E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42143256E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29718885E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76115924E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69308792E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50791045E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.15322989E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30546117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24905339E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11195201E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42387790E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59785145E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23985420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.19651793E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19938289E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75753279E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39586899E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84198543E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.67510022E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31448346E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82269900E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69180076E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.06543683E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.18217468E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88775753E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.05223917E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.38180756E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39052506E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.11438825E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.68463507E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63649114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45360535E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.69925687E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69936255E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70752909E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.55098043E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17634514E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.95673923E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.55309391E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.77344387E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32519823E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.74256283E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.57732737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.92639716E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.03946341E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.51964904E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.82319821E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.37429515E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.33246076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.71495697E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02112100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.59169700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.55978910E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.30925550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.98900430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.64157150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.48428290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.82108400E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.70743640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.20677810E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.05555120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.82852240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.18886600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.80002640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.03305830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "92": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.66974665E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50936883E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.16410134E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96463880E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20774813E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64106973E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70668076E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.34553901E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24233766E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22287738E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19317133E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53904201E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.67823274E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13954938E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28845329E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92077184E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84699317E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98001267E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86739586E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.20332380E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.58503139E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.92231214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.09793695E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93389862E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19091789E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28108692E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.52381555E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.69147870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62933419E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.02810670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.05884393E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55646976E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01800187E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24813560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.38361554E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.29899773E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68638039E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.83394990E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98089903E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14434200E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.58119976E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89724602E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.09797423E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55067410E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59603258E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.34501008E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.45948671E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66866868E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.25641636E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19677837E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19189424E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17482829E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44614780E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61413884E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06270341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19336701E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.01430857E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.17040704E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47028799E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44963977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.57586995E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98086081E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84040828E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59903715E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.64765972E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.57242055E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38933519E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18792999E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.70066185E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69891792E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27490309E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.33180912E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.23237626E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.86423636E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43571867E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01279356E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75436672E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35196793E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.99798051E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.77011413E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09739406E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19301913E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.91117137E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.04324149E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.36542390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38063993E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.06231666E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66375400E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.63565039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.45796002E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.74812159E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.72484724E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71955342E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.61336090E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20319168E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.01926669E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.75476729E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.85711632E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36473289E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.94342752E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.68446566E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98480492E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07216853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.70450122E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.92433437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43960404E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.73859301E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.94349701E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13239850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.45732520E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.92104630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.46394610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.37124610E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.26357850E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.99589120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.31195080E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.36807340E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.90239500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.52427930E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.33988760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.93249770E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.23261400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "1.99192080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.43196600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "93": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.69309350E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51546854E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.18342033E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97092998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22808714E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64657376E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70641589E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.31660108E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20596690E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19482243E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18075380E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53061035E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69737579E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14180586E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.28085608E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92725683E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95280757E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12876031E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01306573E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29650470E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.86006340E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12623429E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31972531E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21315020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.29181622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77829475E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15592435E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96954077E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80454297E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08720206E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.46671183E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70305112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.99483091E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18653384E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.22890740E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30478128E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71036383E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.86969671E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99568757E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15009049E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60219269E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90605482E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13916541E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56929057E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60358193E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.37361754E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.47026714E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67266935E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.26854602E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19815032E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.19054344E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17368071E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44199997E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.61449946E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06379042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19392094E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.03247182E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18147410E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47333488E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45221316E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.58057373E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98685430E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.84448595E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59811091E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63727079E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.56325299E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38134763E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17127878E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66154123E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69370485E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27833450E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39084765E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24643234E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.89092751E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.44016596E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.01059045E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.74621051E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.34638191E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.96943953E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.75869595E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09455455E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19347525E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.92557004E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.05346395E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.37000057E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38549385E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.10036044E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.69119126E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65630235E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46914130E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.80141758E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.74778517E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72565700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.62397350E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20357017E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09518638E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.99964276E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.95884254E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41288428E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.18901608E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.81618903E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.05731583E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11312551E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.93979837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.05811187E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51802346E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.18107094E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.17605801E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24027074E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.80723800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.19146460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.58844770E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.75163310E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.78202380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.58184240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.03974000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.09599270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.80839100E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.61274650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.96891210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.29416000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.15839600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.81529030E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "94": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60587029E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49226412E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.10310201E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93953264E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.09414355E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58659287E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68019329E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.22494161E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.20825000E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24492450E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25134556E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28323805E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40475410E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71443935E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67388849E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03640905E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.52144312E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06169635E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.48909464E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.50236690E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98074097E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.57993497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43465652E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11284865E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32260515E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.23356895E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02292464E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.03674496E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84396265E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18359299E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.09467983E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.22656241E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40653453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25841533E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68364350E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41484853E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71187287E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79858035E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.97999154E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14684157E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.59633998E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90582832E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.14854387E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.57860178E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61039717E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.41773854E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.49726603E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68916166E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.36903166E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.25721760E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22375657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19162300E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.53453513E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65932595E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08341231E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20144452E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.04387011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16937533E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46170480E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45576080E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.66916200E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.08258802E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92325599E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64939193E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.83927999E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.63255604E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39716891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17782903E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.64957138E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66544356E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25440571E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.53787802E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.28265620E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.00229265E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47561493E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13586812E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.79518362E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36736588E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.06601326E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80589824E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11910180E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20688335E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.00242646E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09546893E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39087233E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39646208E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.14571244E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.70018224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.65897832E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.46937404E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.80210734E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.74377183E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71707197E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.56086478E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17430200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.97585311E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.60651723E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.79215292E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33151842E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.75735076E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.57327172E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.91467280E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02938633E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.44786695E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.76339034E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.34941475E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.24933468E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.68891375E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01631877E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.95396300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.27827150E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.61160040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.44054160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.71929160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.61735700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.05912200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.25902020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.04161480E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.06117320E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.02720150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.32750730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.27550010E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.75453400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "95": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63033462E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49888292E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12597035E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94796715E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.12671980E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59925898E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68644306E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.26713722E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24009797E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26908642E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27320116E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.50018801E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60310780E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90447530E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85307548E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16081050E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13400554E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.37532759E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.67528014E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62794628E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.92254266E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12742096E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74373490E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27730356E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42857768E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.98484395E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56637309E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.32717249E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00352420E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25513136E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.55306831E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.40906981E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.45247847E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21176001E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.27466977E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18493443E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62703921E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.88226813E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.02311416E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16647920E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.68504775E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94575424E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.32302384E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65362460E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64353169E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.56890209E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56707185E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72103966E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.51121088E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32256691E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25585681E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20797095E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61899957E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.70389294E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10708954E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21384261E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.11758660E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19925065E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46151073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44491624E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.51455962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.95304189E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82866020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58481573E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.54737537E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.49853518E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.34689888E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15739862E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.62678509E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.67211218E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26263436E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.51367502E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50366436E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67612123E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72186940E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.13861115E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.23879369E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57788375E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.12278690E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.35677484E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41519418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37133608E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.93784028E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.64920270E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72624889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59096045E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.29635069E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37866296E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.03232953E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66690011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.76889539E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.13076712E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86394333E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.05975848E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.30850561E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.06562623E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.89557371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.91207287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38841004E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.04827621E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.72988259E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00130465E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.07851669E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.73035902E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.92692535E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.44020784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.72388396E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.91937915E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11574623E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.37342630E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.55947300E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.72885410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.78801990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.18552090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.78944570E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.32065670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.40005000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.45446620E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.28555530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.17010940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.12494080E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.35157100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.54086020E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.35870900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "96": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.58526459E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48674229E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08174104E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.92961713E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.04497446E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56270500E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66971220E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.18118952E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.19104772E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24352079E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.26577729E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.52452175E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61301814E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.83568534E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73468591E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06106574E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.59824648E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.31540220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75072399E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66483532E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.74770087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.99569671E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.64417669E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25179162E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41202852E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.91478991E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.53002477E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35508626E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01842384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23174587E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66826612E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.62403784E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62240841E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27081563E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.72790566E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47764069E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78584819E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.81114135E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.99835187E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15857774E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65919661E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.93700683E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.29099893E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.64115731E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.63832084E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.54479310E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55501022E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71480120E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.48072115E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30770008E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.24841560E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20426179E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.60101605E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.69544411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.10284684E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21167195E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.11282022E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19659281E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.45891390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45010393E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.57279639E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.01131996E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88203146E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62650478E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.79265221E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.65943311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.42872327E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17008183E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68335489E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.71451095E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29386157E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.43338014E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48360185E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.62236933E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70358688E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.06525220E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.20689528E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.56257973E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.04304613E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.31636891E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39595924E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.36188283E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.88938631E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.61809178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.70513184E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58239804E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.26713496E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37347264E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04058528E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67576338E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.83203942E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.15461227E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86604539E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.03196919E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.28515215E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33836715E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.78071852E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.28229122E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56580210E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.96909925E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.23470164E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.28811650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24403042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.69566667E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.49317605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76338098E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.50176636E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.84210458E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.53924181E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.65012960E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.65089200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.03616670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.98750870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.94726470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.48934650E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.11511690E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.39324170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.15850000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.52959600E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.45690450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.22634630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.17471630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.27346330E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.85034650E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "4.84121410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "97": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59554812E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48937958E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08953066E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93143307E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.04519941E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55639623E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.66148017E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.10344156E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12864708E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.20313890E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25904251E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.79362074E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.84493148E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90090977E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73684979E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07190189E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.85791027E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.39087518E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72509475E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64938670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.76318598E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.02353099E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66493879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23450390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41244386E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.88138372E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52450418E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34121674E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01479580E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25272383E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.63565362E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.59924356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.62191896E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25468490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.67016191E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38042496E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70591870E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.83292177E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.00588635E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16137153E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.67072901E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94181845E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31316225E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65243448E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64404153E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.57258375E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.56798451E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72069039E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.50634285E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.31708109E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25046297E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20370939E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.59087450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68760461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.09776472E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20877805E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.10115290E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19275706E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46877345E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46510668E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.69006623E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.05755316E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.89503140E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61778971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65522740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53510730E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.35442461E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14479717E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.56367995E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64830762E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25729449E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.41043427E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47990698E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.62308149E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70936280E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.10646505E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22810923E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57255392E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.09296730E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.34410816E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.41223272E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.37144102E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.94669687E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.64862418E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71899786E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59076782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.31014587E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39049862E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04700544E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67487438E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.80108560E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12814010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.84574129E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.91359414E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22836169E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.23445654E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.43994922E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.13804417E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.49550798E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.59535853E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.02394391E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16372366E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17063935E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.25951727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.23117075E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60790161E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.59646976E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.34219087E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29812532E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.96480930E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.55195800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.08356180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.98387560E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.47341700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.26077540E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.16849050E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.41018840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.85695610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.84596970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.61121990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.27370350E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.24476300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.25068420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "2.94199580E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.06615800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "98": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55143038E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47742963E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04662932E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91374599E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96310883E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51528842E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63992265E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.98646224E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.05630624E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14211528E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18674441E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.11600852E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.72624168E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01414444E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.80660907E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07958355E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68874486E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38919428E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80636619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70083720E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.94640292E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.12176025E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73545249E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.31221412E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52016423E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.89520192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.13866955E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.78993717E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29980282E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36917537E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.16603326E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74107739E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63140337E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21018635E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.36023240E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.24281072E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.65016972E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.86036564E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03967154E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18089059E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76922890E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98966039E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.54132931E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75971508E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69412401E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.80760897E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68055717E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77592622E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78076871E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45326067E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.31758946E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23665940E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.75308359E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76810738E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13770770E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22829424E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19511143E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.22891959E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46991718E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46107437E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63235646E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02143449E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.87801789E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.61248969E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.71230072E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60660572E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41130472E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18693825E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.71988827E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70675461E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27632550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.53646138E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50169026E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67242397E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72261731E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.15343139E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25033168E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58507655E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.16634703E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38582510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43464941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38270287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.00231959E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67386856E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73033759E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59892147E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.35966056E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.41359067E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05804201E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67743325E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78965300E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.11686206E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.83510102E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.83787510E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18312832E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.31692650E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.70620656E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.24835686E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54774098E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.86229310E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.16758971E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.24314565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.21571626E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.51806550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.37885165E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.68886837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.01654417E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.54479704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38487060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02801520E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.40372130E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.51036730E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.20059450E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.30202910E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.61079540E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.48524940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.80715420E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.98828660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.45712670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.30876270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.21359200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.24162980E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.61599900E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "99": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.54849557E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47659838E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.04296265E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91184855E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.95438224E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51092766E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.63668714E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.95297733E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02286996E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.11217130E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16255352E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.98572601E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71724264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99936957E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81187293E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12419913E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.35787341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75566629E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92689417E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75826886E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03657930E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.45801989E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98331160E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.46088512E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56902917E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.00799999E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.68340842E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.97181623E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.37000990E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.33184325E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.96858167E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76270559E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74032505E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24105669E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.66632769E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40599179E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72760131E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.85462648E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03466000E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17774129E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.75584115E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98603870E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.53837014E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76095319E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69348352E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79327631E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.66722905E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76537097E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.70311374E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40131744E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28687334E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22061715E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.67813789E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73652593E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12631976E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22625608E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.22079516E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26606040E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50771648E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49672576E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.91515139E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.22675060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01335846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69344691E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.08164251E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.76395054E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47155742E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20600603E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.80017218E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73832283E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.28880354E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.52262777E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50364105E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.69338196E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73370914E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.19616026E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.26446759E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.58843030E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.16604204E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.38171117E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43286979E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38213007E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.99949744E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66629528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.71880666E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.59256062E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.32684170E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39730395E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.05313097E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.67428377E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.75356689E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09131345E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81585401E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.72356803E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.12392557E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40548103E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.98786534E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.36453618E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60249675E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.14064762E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.31651381E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.32505996E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26208133E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.78307250E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.52866208E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76990695E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.43067828E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.74173239E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.46825710E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05988120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.26077220E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.69079700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.25398800E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.34148390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.42142060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.60346760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.95889000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.18267240E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.53708670E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.38280430E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.18271700E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.35034960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.82338400E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "100": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49422251E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46215359E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99207014E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.89165896E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.86944609E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47470234E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62279871E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.92098618E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.03693959E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13975672E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18878441E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.16405163E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.70977484E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98113698E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81887614E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12530021E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.09096942E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.63329878E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00006709E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85663684E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11685474E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.87312496E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.21896333E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.74880292E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72182645E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12853664E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.21083271E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25296775E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51332889E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44807845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.82372311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15454066E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.87242721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46727117E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.28545031E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59890498E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79105748E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.82154994E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03697462E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18357801E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.78942060E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00129571E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.60724278E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79614113E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71318402E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.90113281E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72342855E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79410880E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85160194E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.47931304E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32759658E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24106131E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.77545386E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.78050166E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14486970E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23319389E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.24135105E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.26169251E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49351025E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48564643E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.81765807E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.15250324E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.96394861E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66209192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.96594385E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73758460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.47487667E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21287007E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.82979426E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75361689E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29591399E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.22398178E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89689142E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.88699924E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.15576760E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.87590384E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.00196419E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93601071E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.89075409E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.27285456E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.91170291E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64931588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.51911631E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.55933224E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25207183E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89281151E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10480502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.38041038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.58756263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95918394E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01847576E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.63388142E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00168772E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.26841222E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.24259619E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49059266E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.25980213E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.47684765E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.65556840E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.41146287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.46192737E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40525428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30755132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.04296337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.67513169E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84875556E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.83059317E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.93053714E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.54786500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11063250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.30665800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.05428940E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.42113520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.97990870E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.76456340E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.33368630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.37242000E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.41785920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.63457530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.41276230E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.15283000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.38371460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "5.88884940E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "101": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49148330E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46129268E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98839145E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88951190E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.85520058E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46579538E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61782117E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.89349361E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.02219267E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13237188E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.18560943E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.07519762E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.61289079E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.97911861E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82915657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11461723E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.04386554E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.62648695E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99738483E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85496776E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11232230E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.89054156E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24133650E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71962723E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73424477E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12265177E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.11668679E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.24512050E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51054933E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45186196E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.76555623E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24763016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96825921E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43417824E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.29999365E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63362742E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81099364E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.83480962E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.04892784E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19124202E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82894604E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01851678E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.67443065E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.82093533E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72182657E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.92758498E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72920740E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.79401600E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.84175445E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.47241657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.32443739E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24054914E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.78558279E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79630962E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16053450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24644462E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.34479976E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33755175E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55152166E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52911862E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.12154030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.34015689E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07220401E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71857840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.20095976E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.81840364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.49048311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19478326E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.77787334E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73946800E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29433662E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.65406368E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98633280E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.13799664E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23352853E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.13906179E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10029828E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97584570E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00664754E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.35592807E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.95182556E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66869200E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.62014768E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.61735680E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.29024766E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92192277E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12536601E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.51160970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66370538E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99866383E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03671908E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67292507E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.00003111E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.19072332E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18672934E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.56984926E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.51243291E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.58096299E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70464541E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.66153644E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.59627662E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.47957367E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.34999113E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.28741953E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.81351995E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.92363237E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.21316945E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.11222566E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62456377E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14083990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.09506700E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.34685120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.55221410E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.49770120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.41196010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.46118380E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.52574300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.65880780E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.73885280E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.48913470E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.11166410E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.56803830E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.23170000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "102": { + "references": [ + "dyall2007b", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49169296E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46143214E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.98912094E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88985951E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.85760198E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46707542E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61775616E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.88442855E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.01770396E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.14162832E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21234028E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53258638E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25031519E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.49559953E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16899452E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32014363E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.02531089E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.90430105E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.00423782E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83618144E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11246840E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.02008888E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35604887E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.57646044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.72627794E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12133397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.04942843E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.17623362E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.44996903E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42516237E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62056543E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.19674723E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.91301893E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42157935E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.18766140E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.56797157E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78347861E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79049068E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01204424E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17010118E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.72811267E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97280327E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.45466523E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71193226E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66985347E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.69321129E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62671415E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74886993E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.63713170E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.37696655E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.27855550E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21758432E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.66871308E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74059897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13907418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24346584E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.37473869E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.37223164E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.57535390E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54531189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.21028809E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.37128585E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07922901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71530971E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.23720125E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.87713911E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55175002E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26055212E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.01736716E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.82818300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32347781E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.82401299E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02584486E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.21430540E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25816520E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.26683785E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.17253031E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.02087671E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03484298E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52242539E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.04595132E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.72122572E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.91170512E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77575482E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37266089E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.96478270E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.14799255E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.63297005E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.72070366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.01976902E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.04120850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.66816776E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98457941E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.06939334E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.11329602E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.66399427E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.81149210E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.70369212E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.76221297E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.95298011E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.75160719E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.56465422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39791077E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.55927231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.96481894E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00429477E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.62013301E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.30241644E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70316003E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17753060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.89261820E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.65382840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.68787180E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.00296380E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.03173860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.56214670E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.49069100E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.92981330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.87148370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.55228830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.06047110E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "3.75397750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 6 + ], + "exponents": [ + "6.59003000E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "103": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46111957E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45302325E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95687028E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87486815E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77795310E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42155723E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59090617E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.72122286E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91287383E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07048119E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.17020944E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.57865466E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32910102E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42515423E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15313607E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34163529E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.32006756E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.03970392E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.05939624E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87046305E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.15876462E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.27256095E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.50633736E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72412057E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75203190E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13085389E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24618584E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.65301060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.89930217E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68579598E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.90087273E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.62762314E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.14277325E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54269160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.05905652E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.16201557E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.13580114E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.81009669E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03573333E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.18439403E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.80236184E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.01156259E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.65987036E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81434675E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71707961E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.89858904E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71363128E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.78545797E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78724219E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.43445672E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29882756E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22469644E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.69747369E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75136325E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13931363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23810540E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.32235073E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.33439459E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55321811E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53508732E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.14660845E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.34483835E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.07265589E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71777926E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.29300100E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94779010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59321852E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25164770E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07637886E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.91077078E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38280741E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.62533080E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98266961E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.12770830E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.23826796E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.18823220E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12730666E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99332391E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01887510E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.43614173E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00142357E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.69784668E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.78666708E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.70038523E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.32598940E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.94091502E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13385020E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.53711030E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66721883E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98984802E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02399392E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.57516840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93322174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.81641432E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00530063E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.95526483E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.74425363E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.09028588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.94589709E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.90061497E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.26811711E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.85637779E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.56570579E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.53978227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.53871546E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33271945E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14458678E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.27054758E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15761281E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.26181620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.68389600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.24845510E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.27480500E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.17240600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.35200300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.51651250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.34136210E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "104": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.45971372E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45277067E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95589869E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87427357E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.77491260E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41875952E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58684788E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.67072072E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85745371E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01242429E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09863494E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.49369432E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.32805196E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.75165842E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.62432299E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.48726043E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60818993E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.35050623E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00685958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.19873509E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36322132E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.47397460E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.66290353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71368848E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09968864E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.62332857E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.25434932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.71896249E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.76787141E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.91893278E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.62245397E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.12840627E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.68104897E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86618595E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.66944138E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.40726651E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.97543058E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.15716432E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24972927E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.12608799E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.16582238E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.39527408E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.17296069E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.89445241E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.77988939E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.15290693E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00545299E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.89963280E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.00515616E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59610000E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38149056E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.53126752E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19843225E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38043987E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36827280E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.02165558E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.71161106E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.75774609E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64586005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.76452114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69866732E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28431927E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86420837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05649370E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.00091584E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39968855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.90788120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01487179E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.27128262E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69365094E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34013783E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.12287133E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.85103885E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.73082876E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09975896E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.66024218E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.91198361E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89727383E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.72037069E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.19357011E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87049422E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.62482500E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.37938274E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.46442030E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18523754E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.86743573E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.09370867E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.30908807E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.54225099E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91968284E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.86797233E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.68566135E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11061498E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.05738045E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.66948535E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.39768115E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.11525306E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.67292481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.22162592E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.13265535E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.04466398E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.29801869E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.82037167E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.00408899E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.43369996E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.84740674E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.42594119E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.67971938E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.80557568E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19865127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.10687970E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.28230330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.05819880E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.71757250E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.88483390E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "3.31336740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.13524270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "105": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.48201058E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45839431E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.97243937E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87884252E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.78509755E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41895007E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.58547563E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.66246697E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85504750E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01182174E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.09683385E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.40495028E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.19081632E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72840331E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64620158E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.72211688E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.73797828E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.42450512E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.07295190E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27154060E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.99891549E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95398844E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.96575131E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91313087E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21884005E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.64699481E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73539475E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.88065731E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71030365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.93333671E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.77147473E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34296094E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04639062E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05326780E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.37466641E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.70246458E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.28348255E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37798186E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.36856093E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.72736429E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46452015E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.08680929E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89639200E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.25034203E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05398251E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.02954172E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44617978E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21385683E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.15501878E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19379644E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69676784E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.21860425E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11425253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.88640686E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.65171375E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.60373313E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.63349012E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.29934342E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96079604E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.17347050E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.93283396E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.01901444E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.28835539E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.26200195E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.92360331E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74914496E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.98794418E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05333582E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54235488E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.86377054E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42362834E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.20758469E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.88349036E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.83357432E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.13485612E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78335066E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.95467280E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91326925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.79197118E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.23238802E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.89447010E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64046400E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.48251960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52785055E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22131382E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89060790E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10794937E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.39081471E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.59301360E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.95231451E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00583669E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91349583E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28672321E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01344722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.22744429E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.89340694E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.27213020E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.32062111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.52682219E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29072634E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.90467043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.79000301E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.10534277E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17354346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.45216777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.42980502E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.73912411E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.18764702E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.39295395E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39909052E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.67950310E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.41803270E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "6.53173600E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.17967740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.29031240E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.07989640E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.36459280E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "106": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44306651E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44803255E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.93619198E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86438395E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.72137771E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38851120E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.56979902E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.57570965E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.80158923E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97348014E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.06418075E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.07535116E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.91461294E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.61932832E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59370347E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.41298089E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.59711467E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36983861E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.05545789E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27666466E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.06114934E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01770714E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01567875E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.94431003E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24540150E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.21107798E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.15215962E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17914727E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88993439E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11859288E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.43641290E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51855356E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.97685459E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03733543E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.44054872E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.79881230E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.27620868E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.39028684E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37968488E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.79810798E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.50290999E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10574052E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.98641575E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29282247E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07366868E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.11871372E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.48664798E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23283977E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.24699591E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.23910466E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.71936945E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.33405454E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.17547124E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.91971029E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.67176178E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.77614838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.78615135E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43081630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.06268084E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24946157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.47321769E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.39744629E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55098345E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44302711E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08080291E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45635704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38722015E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.21119972E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.07334156E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03611956E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48540597E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.15409231E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.87038318E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.79029974E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.11888521E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.72153402E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.92829105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.90053277E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.72572898E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.19884897E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87877740E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.63400192E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.46375914E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.52504149E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.22194042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89594380E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11328146E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.43180389E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.63022484E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98436482E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.02875500E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.12331357E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43748428E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.10514040E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.71169071E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.28955831E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39563165E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.82563777E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.76305845E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41262994E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.56651346E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.16850124E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.32514262E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.30454962E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.23776632E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.88214729E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98934605E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.47786994E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.98435704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62225990E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.26543170E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.55396640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "7.76948440E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.61174920E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.47705550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "4.87616010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.58267420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "107": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.38087103E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43139197E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.87782538E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84111335E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.61848488E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.33990973E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54553752E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.44845948E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.73128282E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.93232282E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03689590E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.83424485E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66344976E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.51394996E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55986729E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.26949080E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.60157935E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43095111E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.10472302E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.27587615E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.00911078E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.99699561E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.11152246E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.04652189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34468406E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.86593700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.56826804E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.41276143E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.96206854E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16914142E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.77732332E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87008918E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.12977038E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.13874394E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.98853433E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.06599422E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.41601473E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48617304E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.42984620E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.04319189E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.62300194E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16607723E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29355507E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44932956E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15345912E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.52616083E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69469722E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33900382E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.79148775E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52197827E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.86895872E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01400605E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.61833948E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16923472E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.81504336E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05968761E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.27000998E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.71348935E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22332955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34606879E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.03222188E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70235819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70870426E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51413153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.37775950E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53127761E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37188036E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20757112E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.09607425E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06835377E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50505939E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.25732048E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.89078310E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.84946964E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14028198E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.80448289E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.96415629E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.91822076E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.82038620E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.25146118E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.90835205E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.65091372E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.56504142E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.58649512E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.25906629E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92134884E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13006066E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.53680661E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.70242904E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.03655314E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06490529E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.37740289E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.59755195E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19616704E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.17587366E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.62593619E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.50308567E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.27380568E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.97454580E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52170465E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.15651511E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.50388945E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.51911949E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.41969507E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.92526591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.28057634E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21417901E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06796329E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.56898773E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.85350008E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.79137450E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69096900E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "8.88770160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.03980800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.49806610E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "5.68596620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "1.77661490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "108": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.33269623E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41851417E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.83268372E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82318050E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.54099166E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30477679E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.52929369E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37356296E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69817603E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91879784E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03264584E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85198023E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.74773856E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.54405948E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55186768E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.16054784E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51401938E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37400874E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08750776E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.31115890E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.35357781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26866244E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26325371E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.16866319E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41004686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.72303455E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.51599702E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.37675879E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08066643E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.22202827E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.34117242E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.35468451E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.30901222E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.23322316E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.50849182E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.34128974E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.32558353E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43810001E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40848826E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.95180081E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.58243045E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14620015E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.18659046E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.39042751E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.12203808E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.36441752E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61240540E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.29692845E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.57387226E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40746952E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.80729469E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.80046315E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.42782244E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.05982411E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75229867E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.02348390E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.03259619E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55051710E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12253603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.27547462E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.56428591E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.42520750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.55567610E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44020629E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.99628812E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.32397680E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.23440848E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13579586E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.75133443E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93160698E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46599600E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.61082747E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97163167E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.09272802E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.22551945E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.14110391E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.10984399E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.98633142E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01599233E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.42985895E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.00646273E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.70686814E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.89340908E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.78325035E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.37883655E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.99543036E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.17621890E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82594027E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.88239844E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.14868597E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13375706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.77919293E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.81695359E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30867606E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.70614201E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.95845653E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.60576278E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.68803827E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.16708418E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62087843E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.69589193E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.81243689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.69894774E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.52675721E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.56323870E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.65189758E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.42630398E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.18377640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.15030549E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.09013101E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.46382300E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.82962850E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "9.94657160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.47700620E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.07527960E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "6.49687490E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.00918740E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "109": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35477948E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.42425298E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.85073488E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82894279E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.56031660E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31088246E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53074373E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.37080431E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.69206830E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91663745E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.03935295E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.04140768E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.94101657E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56370723E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.55195065E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24359501E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55475860E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.38025689E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.09895711E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36255520E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.78863358E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52626730E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.36054257E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.17140783E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39704603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.33929881E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82691970E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61827476E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.15134839E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.30739224E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.75243499E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.51275426E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.63479795E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41920868E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36041219E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.68802643E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.48006000E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.55092594E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47009910E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.26593635E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.73989099E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22529921E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.58650128E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.59170756E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.22190178E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.85526992E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.85505383E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41889116E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19798356E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.73211614E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97914836E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.07276890E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.93870073E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34869396E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.91668183E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.11578146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56743955E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85973189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29621374E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.37655785E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13789707E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.73541932E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.72428035E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53188993E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.46635783E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.53510826E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30091525E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.14076172E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.76111994E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.98548630E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51012149E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.17486083E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09710625E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.47059397E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.35989800E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.67555707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33862604E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08962654E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06540434E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.68010879E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.13953401E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.78012166E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03061016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.02053597E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.51826932E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.07844566E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22627777E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.12884239E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.06691699E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.26246422E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20283487E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.17418477E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.02984495E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.41764949E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.22202021E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.27363523E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.70381075E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.08724823E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.35300194E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.71614036E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.21050686E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.10431960E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.86790524E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62678574E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.15807475E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.00018295E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.62803706E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29622784E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.73130264E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.33139137E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.10230640E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.97037890E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.09769260E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "3.93365800E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.19834210E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "7.30619010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.22574390E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "110": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.30790073E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41178380E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.80722313E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81152422E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.48200978E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27280674E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51137241E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.26958422E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.63682414E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.88318618E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01460230E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.82599136E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85010707E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55613261E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53518952E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.06034996E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.52389804E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48598262E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26273664E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48192341E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49218137E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89522756E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52081241E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27519042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47398207E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01212820E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.34978384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.98570897E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36186210E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44065118E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.58616473E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.07113026E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.76601076E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47284221E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.67102624E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.87202974E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.56767129E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.59815913E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49176224E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.36225556E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.78361874E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24556053E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68302495E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64005873E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24729792E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.99060779E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92620332E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.45577396E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.39082729E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83491978E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.03450316E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.10273535E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.10298882E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.44044885E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.97084568E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.15095596E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.81030138E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03337528E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.41832707E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46536534E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.76333242E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.16559936E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01656733E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72178445E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.66664388E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.29997901E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.81569298E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41687474E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96883625E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40532021E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62899706E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.00490181E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.29741144E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.08289133E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57989810E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.05606975E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.72776544E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27361906E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.15753844E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.16182727E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.40062481E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.92576284E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11340668E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.50429554E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.80839128E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.24864464E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32800129E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.74500760E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.42566686E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46982695E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32177162E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.82085010E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.35843742E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.57250538E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.88647200E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.57413318E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.79726212E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.46792982E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.53064345E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.80729002E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.70399757E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.38453473E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.03046042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.72315472E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.73205155E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.33804247E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.82549268E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.40760720E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.31551503E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.57727957E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.76354280E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.11355660E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.19949710E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.42041280E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.33156160E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.10962200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.44286260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "111": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.32963330E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.41739348E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.82465082E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81688027E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.49750743E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.27556012E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.51045074E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.25492477E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62692302E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.87921293E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01528250E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.85639221E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.85602993E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.55479559E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.54208281E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.09178461E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49695883E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.44862684E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.23941946E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45327487E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.42652522E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.89988043E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.50545010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27639863E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46622500E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.01751391E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.33666160E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.96490590E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.32459114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44148354E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62084423E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.02501108E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.02173530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.61951163E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.30567041E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.12630953E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.64035460E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67539711E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54120168E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.63766306E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92907417E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32079851E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.06807205E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83563724E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34659656E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.49771151E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.18656967E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58946423E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.07478064E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.18504607E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.21582578E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19855066E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.62105175E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.72828313E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13589614E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.24987371E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.45146995E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.45918639E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69200228E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64981508E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.96198520E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.91865076E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.48501236E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.00814313E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.13398132E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.23044305E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.30056071E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60850559E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.64977666E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.62158027E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.69239534E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.01102172E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31959730E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.16361322E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.60722075E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06490935E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.75930237E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.28674177E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16330175E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.18666491E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.41119063E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93047679E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.11605941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.51860397E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81480198E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.25634226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.33428798E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.78775550E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.46649120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.50660604E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35129111E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.02220029E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.48570918E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.64791602E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.28891144E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.87763137E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89116232E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.84779561E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.70663049E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.89694015E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.01865253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.65687769E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.18775230E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.81605888E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02845292E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.66432202E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.01796245E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.51771310E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.90404148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.82760263E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.54675050E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.25944750E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.30142680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.95469020E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.49761150E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "8.91003120E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.69315830E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "112": { + "references": [ + "dyall2011a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.28348976E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40500323E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78082602E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79919419E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.41844044E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.23756166E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49085023E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.14545754E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55935593E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83304454E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.79256875E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.50286995E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.48192450E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.38338824E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47319109E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.77046508E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.35314782E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.39833265E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22760060E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44415827E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.36454097E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93554622E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.59885499E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.36308348E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.53009368E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.05739052E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.99755409E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.45664074E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59941275E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.59387103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.24871674E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.20059377E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.13181760E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70060631E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.79908964E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.38774122E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.62254239E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67351088E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.54267713E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64652737E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93278966E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32192978E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.06838514E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.83439975E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.34635907E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.50176263E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19117104E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59227363E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.08826107E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.19212664E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22045165E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.20180315E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.64417067E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74449587E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.14489856E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25084340E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.39299969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.37063871E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61453565E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58221789E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.43617305E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.54424193E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.22859365E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.83196222E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01548816E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.45665731E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.80743078E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.40453853E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.94444049E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.42238079E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64434980E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.12641028E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.57143981E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.90755626E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86941813E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16948288E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.21329700E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.49726094E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26680872E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.72058114E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.69747256E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.08869290E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.20507178E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.03358308E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.12054118E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.43347384E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43941821E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.42314879E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.83670490E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.72158764E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.47396736E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.68168559E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.81692311E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.80289488E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.95273237E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.17203182E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98173822E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.21312396E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.87588980E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.98319291E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.06514404E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.91938275E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.33941180E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.90557653E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.08169625E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.98022315E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.20617398E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.62686943E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.49799127E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.08241165E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.35545550E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "2.40830290E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.40619090E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "5.57011180E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "1.69058970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "9.71092530E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 5 + ], + "exponents": [ + "2.94737170E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "113": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27196403E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.40181172E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76915925E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.79430975E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.39815540E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.22955007E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.48813092E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.13670521E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55206807E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82164857E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.62298159E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22953390E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92147343E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.67361987E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.88208746E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.93567253E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.61256521E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.22237016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39805397E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85855904E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.61491969E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.55467881E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.43180164E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.64040194E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.12017162E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.24649384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.60033228E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.59484257E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.71841941E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.08733039E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36593759E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.71258074E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.29886893E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11526856E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.01964399E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.78822227E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.79251465E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60979217E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.00506570E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.11991699E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41855244E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.56646361E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.09019500E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.47681051E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.16130990E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.52296712E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.76040809E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95561770E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.64866537E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.46519716E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33528492E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38531948E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.16586933E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.38862032E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39245047E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.25374353E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.89609360E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.92614557E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77868026E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06613145E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.28508530E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.68624509E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12194485E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.19933177E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.61340776E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.51823441E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.72049802E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13589190E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.81167733E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.75663167E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.16714124E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.66916817E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.21164227E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.97833395E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.21242639E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.39607613E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.58130105E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.30861623E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.94343971E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.82295013E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.16242539E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24984606E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.31451415E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.30119781E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54951252E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.51544014E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.92648999E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.16215777E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.93198011E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61038598E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.53123860E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.33182672E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.09880286E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.34384342E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.66784641E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.13455133E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.83105889E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.16214588E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.12935368E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.14399278E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.36596446E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.59859044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.05940889E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.17436154E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.54501004E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.55573168E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.84637679E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.87587823E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.73547013E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.16249082E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.40439630E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "114": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.26033797E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39861654E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.75619038E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78781943E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.36271088E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.20940507E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47660635E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.07431758E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.52631940E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81906673E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.73215188E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.42119864E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.18800440E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.01508625E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36424516E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.85520434E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.72596203E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.62189952E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.24697245E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.32834569E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.20140838E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.08075010E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.31631115E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26480640E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49018114E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.32444366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63329153E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.14759330E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.19116357E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36044159E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.45721060E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24430169E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.56942043E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25619421E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.55232207E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.71686810E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.74532433E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58527086E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88873651E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.06645977E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.39360764E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.44592635E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.03101177E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.44838769E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.03168972E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.46705483E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.73705835E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85790925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.60557843E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.44367888E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32305040E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31531519E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.12995646E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.37364697E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38977369E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.25862051E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.90657956E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.93087963E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.77481973E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.05691523E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.21876676E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65091628E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.12745834E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.23561840E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.15215577E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03290889E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.07920174E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.01708236E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.82197574E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.22215679E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.24588240E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84906635E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78025433E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.18705384E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29691001E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.76369597E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.75087939E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39062891E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.35540610E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.03779425E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27934635E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31616835E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.71117594E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.54825517E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.70176626E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61169459E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.53741366E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.53846630E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.16557103E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.75695437E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.42412193E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.86065188E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.39010364E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06334671E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.97374160E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.22900735E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.21249703E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.33899326E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.21940907E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19257744E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.64054411E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.75809214E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15442287E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.23219110E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.90479978E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.78889544E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.00313700E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.92431016E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.28863198E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.64962588E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.41562200E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "115": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24911974E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39553632E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74440734E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78234057E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.33412453E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.19286823E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46626125E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.00439183E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.47609955E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78335897E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.49346305E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.27963478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16130723E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08713492E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.36289221E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.50071675E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.49964280E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.60178408E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.27387670E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.34457367E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.23908379E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.05250060E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.30429246E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.21291361E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44784260E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.35071470E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.68943819E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.26438607E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.08357640E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.25477219E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.81432891E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.54863722E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.64221974E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.37176563E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.14006031E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.85958919E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.85210836E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.64516561E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.19261901E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.21611493E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46698725E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.80711749E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.20962760E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53668391E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.46558964E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.67953739E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.84065184E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.35772192E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.84695318E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.56403755E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.38684653E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.67743193E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.34883152E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.51336173E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48260944E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.89476072E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.32898726E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.19974406E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.94895519E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16746630E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.88254306E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.03845438E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.33493378E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33543728E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.60463468E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.30204003E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.29863045E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.16588245E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.66269622E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.63584306E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26167483E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86623031E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.78557699E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17917223E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.29058532E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.72578478E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.73182164E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.38169477E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.31698941E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.02355784E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.27480958E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.31508533E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.70380044E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.53880226E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.69940113E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.61142365E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.54570638E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.57377187E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.21004120E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.79994676E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.77276302E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.11396721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.54685635E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.13037590E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.29160971E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.32630148E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.60235385E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.51835799E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.30999477E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.24103456E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.91175637E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "3.91402590E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.24626977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28744995E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.24474052E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.00883114E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.15336038E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.09445192E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.82415648E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.72630012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.35089970E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "116": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.23799264E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39243286E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73221874E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77654820E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.30361696E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17550479E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45627386E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.95052171E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.45135157E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77399324E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.45016585E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.22044631E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.01773055E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.84961315E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.24104198E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.59874466E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.75488016E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.70799507E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.34424619E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.46206219E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.44923485E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.23597524E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.06634763E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.90453402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.91962782E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21287140E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.55527084E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.76212099E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.08903042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.86070937E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.07350022E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.63436145E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.99741663E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.49319761E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.53593169E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95283268E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92544355E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68890395E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.43198007E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.34302600E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.53313566E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.14818682E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.38429639E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.62592154E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.92426176E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.91704662E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.96476567E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00207773E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.21092833E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.76757524E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.50146919E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.31966562E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.70443277E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.70741286E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.58723125E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.48902770E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.68018302E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.40914977E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.08355329E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.25576715E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.47618060E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.46042724E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.64115336E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.55375259E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.02077303E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.07917555E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.66032301E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.33259718E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.45491010E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01679730E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.39359689E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.17890374E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.72932834E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.51219359E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42255879E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.29399898E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.99220276E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.50820677E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.96269237E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.36646597E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.46374386E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.42203929E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "8.33368684E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.91983532E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92291987E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.74763209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.03943489E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.07649384E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.50858263E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.97696303E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.08142891E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.71221099E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.86471548E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26597270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.56966134E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.41096043E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "9.93912208E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.67277691E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.38790675E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.28287391E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.14744191E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.05083219E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.32785505E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.33730647E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.55766996E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.21695517E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.29985956E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.19523675E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.35074608E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.03550735E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.49813260E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "117": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.25924042E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39786639E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.74856617E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.78116779E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.31532502E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.17731863E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.45570946E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.93830899E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.43691468E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.75966225E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.32921669E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.12878219E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.98100204E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.00438650E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.43170464E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.84763220E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.46049200E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.46987096E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.26498640E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44727104E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.57744976E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.42001428E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.33513402E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.84369578E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85078189E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21733914E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.59651688E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.78373460E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.92185735E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.82054393E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.11983838E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.87400090E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.51783240E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73895855E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.53124545E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.93246819E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.89712442E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.66943502E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.31554976E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.27713614E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.49736978E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "6.96070208E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.28752702E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.57544646E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.65176570E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.76554718E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.88023194E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.54900475E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94360639E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.61315371E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.41145997E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.79694086E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.40153287E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.53306745E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.48995465E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95792122E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.43943689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.37144210E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.13163157E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.32966028E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.13703554E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.94917227E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.95267920E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.74192612E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.00892452E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.69421784E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.01956499E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.52524012E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.38304128E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.43311967E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.32297364E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.01410573E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.23876746E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.33631141E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35134132E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.98288898E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.84773093E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.43697264E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.59249954E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.16481893E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.34908042E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.35585871E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.93428876E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.67303882E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.78548689E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.66653603E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.90368697E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.82324837E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.38748080E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.93312913E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.06912481E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.69840840E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.87485417E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.26036933E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.87052991E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.50204991E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.02993794E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.83696914E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.46996228E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.32635146E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.38892678E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.18942948E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.40986042E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.38706840E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.86604040E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.41990975E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.44385042E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.29548185E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "5.87285453E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.27770312E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.54121580E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + }, + "118": { + "references": [ + "dyall2012a", + "dyall2023b" + ], + "electron_shells": [ + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.24854746E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.39495779E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.73765924E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.77625390E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.29100862E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.16380784E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.44752897E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.88591249E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.40160683E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.73417123E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.12592703E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.95335065E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.80074865E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.70828513E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21733487E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.62943305E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "5.64966578E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.58140072E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.25880184E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.47289887E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "9.82329929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.44618236E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.10574543E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.72635178E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.81140109E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.21460422E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "7.45100752E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "4.49058231E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "2.95347603E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.83892540E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.16166488E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "6.75425819E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "3.66995155E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "1.85479420E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 0 + ], + "exponents": [ + "8.13633895E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.95852932E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.92231113E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.68599722E+07" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.40624713E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.32279378E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.51963552E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.06722550E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.33736752E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59921303E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.77594264E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.83692071E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.92222193E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.79057721E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.08057925E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.69240533E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.46023844E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.11773863E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "4.62080977E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.68465450E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.59444659E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "9.67099966E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.90306127E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.65442581E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "2.30463929E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.43239383E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "8.73188672E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.30197846E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.16777708E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.85750803E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.06303456E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "5.89913886E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.13360961E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "1.60458662E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "7.93676508E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto", + "region": "", + "angular_momentum": [ + 1 + ], + "exponents": [ + "3.75337574E-02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.71465154E+06" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.90028353E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.19206574E+05" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.28988008E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.73011158E+04" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.62404365E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.61015158E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.81113222E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.51191306E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.19089158E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.92040197E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.68117510E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "9.85063897E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "5.81536027E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.43464918E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.05160436E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.22036083E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "7.10581277E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "4.09943134E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "2.31660744E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.27389211E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "6.77011148E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "3.40324762E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 2 + ], + "exponents": [ + "1.48286099E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.10550500E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.57520427E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.05972300E+03" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.97735881E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.54313815E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.36712631E+02" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "7.62608209E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.32982910E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.49364857E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.43733765E+01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "8.17195337E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "4.61890960E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.58634757E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "1.39572680E+00" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "6.39327270E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 3 + ], + "exponents": [ + "2.63147721E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + }, + { + "function_type": "gto_spherical", + "region": "", + "angular_momentum": [ + 4 + ], + "exponents": [ + "4.58516460E-01" + ], + "coefficients": [ + [ + "1.0" + ] + ] + } + ] + } + } +} \ No newline at end of file diff --git a/basis_set_exchange/lut.py b/basis_set_exchange/lut.py index 5c9bf97e..7ae5fdea 100644 --- a/basis_set_exchange/lut.py +++ b/basis_set_exchange/lut.py @@ -116,6 +116,32 @@ def all_element_names(): '''Obtain a list of the names of all the elements''' return list(_element_name_map.keys()) +def all_element_blocks(): + '''Obtain a list of the blocks the elements belong to''' + + # Order of shells in periodic table + shell_order = [0, 0, 1, 0, 1, 0, 2, 1, 0, 2, 1, 0, 3, 2, 1, 0, 3, 2, 1, 0] + # Count quantum number + quantum_number = [1, 2, 3, 4] + + # Loop over shells + Z = 0 + ishell = 0 + num_filled = 0 + + blocks = {} + while Z < _data_table[-1][1]: + # Increment count and number of filled electrons + Z += 1 + num_filled += 1 + shell_am = shell_order[ishell] + blocks[Z] = f'{quantum_number[shell_am]}{_amchar_map_hik[shell_am]}' + if num_filled == 2*(2*shell_order[ishell]+1): + # Shell is full, move on to next shell + quantum_number[shell_am] += 1 + ishell += 1 + num_filled = 0 + return blocks def element_data_from_Z(Z): '''Obtain elemental data given a Z number diff --git a/basis_set_exchange/refconverters/endnote.py b/basis_set_exchange/refconverters/endnote.py index 2fa1e557..6ced7ed0 100644 --- a/basis_set_exchange/refconverters/endnote.py +++ b/basis_set_exchange/refconverters/endnote.py @@ -51,6 +51,8 @@ def write_endnote(key, ref): s += "%0 Thesis \n" elif ref['_entry_type'] == 'techreport': s += "%0 Report \n" + elif ref['_entry_type'] == 'dataset': + s += "%0 Data Set \n" else: s += "%0 Generic\n" diff --git a/basis_set_exchange/refconverters/ris.py b/basis_set_exchange/refconverters/ris.py index 39aeb9f5..4f4bdbc2 100644 --- a/basis_set_exchange/refconverters/ris.py +++ b/basis_set_exchange/refconverters/ris.py @@ -49,6 +49,8 @@ def write_ris(key, ref): s += "TY Book \n" elif ref['_entry_type'] == 'phdthesis': s += "TY Thesis \n" + elif ref['_entry_type'] == 'dataset': + s += "TY Dataset \n" elif ref['_entry_type'] == 'techreport': s += "TY Report \n" else: diff --git a/basis_set_exchange/references.py b/basis_set_exchange/references.py index 80cdbe78..5241b47e 100644 --- a/basis_set_exchange/references.py +++ b/basis_set_exchange/references.py @@ -141,6 +141,12 @@ def reference_text(key, ref): s += '\n' + ref['year'] if 'doi' in ref: s += '\n' + ref['doi'] + elif ref['_entry_type'] == 'dataset': + s += ref_wrap.fill(', '.join(ref['authors'])) + '\n' + s += ref_wrap.fill(ref['title']) + '\n' + s += '{} ({})'.format(ref['publisher'], ref['year']) + if 'doi' in ref: + s += '\n' + ref['doi'] else: raise RuntimeError('Cannot handle reference type {}'.format(ref['_entry_type'])) if 'note' in ref: diff --git a/basis_set_exchange/schema/references-schema.json b/basis_set_exchange/schema/references-schema.json index a7308186..1a61d0a7 100644 --- a/basis_set_exchange/schema/references-schema.json +++ b/basis_set_exchange/schema/references-schema.json @@ -41,7 +41,7 @@ "properties": { "_entry_type" : { "type" : "string", - "enum": [ "article", "techreport", "misc", "unpublished", "phdthesis", "book", "incollection" ] + "enum": [ "article", "techreport", "misc", "unpublished", "phdthesis", "book", "incollection", "dataset" ] }, "title" : { "type": "string" }, "doi" : { "type": "string" }, diff --git a/basis_set_exchange/tests/sources/dyall-aae2z.1.gbs.bz2 b/basis_set_exchange/tests/sources/dyall-aae2z.1.gbs.bz2 new file mode 100644 index 00000000..4f876de9 Binary files /dev/null and b/basis_set_exchange/tests/sources/dyall-aae2z.1.gbs.bz2 differ diff --git a/basis_set_exchange/tests/sources/dyall-aae3z.1.gbs.bz2 b/basis_set_exchange/tests/sources/dyall-aae3z.1.gbs.bz2 new file mode 100644 index 00000000..4361446d Binary files /dev/null and b/basis_set_exchange/tests/sources/dyall-aae3z.1.gbs.bz2 differ diff --git a/basis_set_exchange/tests/sources/dyall-aae4z.1.gbs.bz2 b/basis_set_exchange/tests/sources/dyall-aae4z.1.gbs.bz2 new file mode 100644 index 00000000..07f1582c Binary files /dev/null and b/basis_set_exchange/tests/sources/dyall-aae4z.1.gbs.bz2 differ diff --git a/basis_set_exchange/tests/sources/dyall-acv2z.1.gbs.bz2 b/basis_set_exchange/tests/sources/dyall-acv2z.1.gbs.bz2 new file mode 100644 index 00000000..8d9fd6df Binary files /dev/null and b/basis_set_exchange/tests/sources/dyall-acv2z.1.gbs.bz2 differ diff --git a/basis_set_exchange/tests/sources/dyall-acv3z.1.gbs.bz2 b/basis_set_exchange/tests/sources/dyall-acv3z.1.gbs.bz2 new file mode 100644 index 00000000..8da62987 Binary files /dev/null and b/basis_set_exchange/tests/sources/dyall-acv3z.1.gbs.bz2 differ diff --git a/basis_set_exchange/tests/sources/dyall-acv4z.1.gbs.bz2 b/basis_set_exchange/tests/sources/dyall-acv4z.1.gbs.bz2 new file mode 100644 index 00000000..6ee4218b Binary files /dev/null and b/basis_set_exchange/tests/sources/dyall-acv4z.1.gbs.bz2 differ diff --git a/basis_set_exchange/tests/sources/dyall-ae2z.1.gbs.bz2 b/basis_set_exchange/tests/sources/dyall-ae2z.1.gbs.bz2 new file mode 100644 index 00000000..60afb384 Binary files /dev/null and b/basis_set_exchange/tests/sources/dyall-ae2z.1.gbs.bz2 differ diff --git a/basis_set_exchange/tests/sources/dyall-ae3z.1.gbs.bz2 b/basis_set_exchange/tests/sources/dyall-ae3z.1.gbs.bz2 new file mode 100644 index 00000000..824a45c0 Binary files /dev/null and b/basis_set_exchange/tests/sources/dyall-ae3z.1.gbs.bz2 differ diff --git a/basis_set_exchange/tests/sources/dyall-ae4z.1.gbs.bz2 b/basis_set_exchange/tests/sources/dyall-ae4z.1.gbs.bz2 new file mode 100644 index 00000000..d0ba9cb0 Binary files /dev/null and b/basis_set_exchange/tests/sources/dyall-ae4z.1.gbs.bz2 differ diff --git a/basis_set_exchange/tests/sources/dyall-av2z.1.gbs.bz2 b/basis_set_exchange/tests/sources/dyall-av2z.1.gbs.bz2 new file mode 100644 index 00000000..bfea15d6 Binary files /dev/null and b/basis_set_exchange/tests/sources/dyall-av2z.1.gbs.bz2 differ diff --git a/basis_set_exchange/tests/sources/dyall-av3z.1.gbs.bz2 b/basis_set_exchange/tests/sources/dyall-av3z.1.gbs.bz2 new file mode 100644 index 00000000..80d0d885 Binary files /dev/null and b/basis_set_exchange/tests/sources/dyall-av3z.1.gbs.bz2 differ diff --git a/basis_set_exchange/tests/sources/dyall-av4z.1.gbs.bz2 b/basis_set_exchange/tests/sources/dyall-av4z.1.gbs.bz2 new file mode 100644 index 00000000..e73539e8 Binary files /dev/null and b/basis_set_exchange/tests/sources/dyall-av4z.1.gbs.bz2 differ diff --git a/basis_set_exchange/tests/sources/dyall-cv2z.1.gbs.bz2 b/basis_set_exchange/tests/sources/dyall-cv2z.1.gbs.bz2 new file mode 100644 index 00000000..a7f9c18f Binary files /dev/null and b/basis_set_exchange/tests/sources/dyall-cv2z.1.gbs.bz2 differ diff --git a/basis_set_exchange/tests/sources/dyall-cv3z.1.gbs.bz2 b/basis_set_exchange/tests/sources/dyall-cv3z.1.gbs.bz2 new file mode 100644 index 00000000..e0bb883a Binary files /dev/null and b/basis_set_exchange/tests/sources/dyall-cv3z.1.gbs.bz2 differ diff --git a/basis_set_exchange/tests/sources/dyall-cv4z.1.gbs.bz2 b/basis_set_exchange/tests/sources/dyall-cv4z.1.gbs.bz2 new file mode 100644 index 00000000..b9d433dd Binary files /dev/null and b/basis_set_exchange/tests/sources/dyall-cv4z.1.gbs.bz2 differ diff --git a/basis_set_exchange/tests/sources/dyall-v2z.1.gbs.bz2 b/basis_set_exchange/tests/sources/dyall-v2z.1.gbs.bz2 new file mode 100644 index 00000000..57adab21 Binary files /dev/null and b/basis_set_exchange/tests/sources/dyall-v2z.1.gbs.bz2 differ diff --git a/basis_set_exchange/tests/sources/dyall-v3z.1.gbs.bz2 b/basis_set_exchange/tests/sources/dyall-v3z.1.gbs.bz2 new file mode 100644 index 00000000..d2e5b2cc Binary files /dev/null and b/basis_set_exchange/tests/sources/dyall-v3z.1.gbs.bz2 differ diff --git a/basis_set_exchange/tests/sources/dyall-v4z.1.gbs.bz2 b/basis_set_exchange/tests/sources/dyall-v4z.1.gbs.bz2 new file mode 100644 index 00000000..60fd184a Binary files /dev/null and b/basis_set_exchange/tests/sources/dyall-v4z.1.gbs.bz2 differ